cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
An evaluation of machine learning/molecular mechanics end-state corrections with mechanical embedding to calculate relative protein-ligand binding free energies
Creators: name: Karwounopoulos, Johannes
name: Bieniek, Mateusz
name: Wu, Zhiyi
name: Baskerville, Adam L.
name: Koenig, Gerhard
name: Cossins, Benjamin P.
name: Wood, Geoffrey P. F.
Publisher: name: arXiv
Year: 2024
Subjects: subject: Computational Physics (physics.comp-ph)
subject: Biological Physics (physics.bio-ph)
subject: Chemical Physics (physics.chem-ph)
subject: FOS: Physical sciences
subject: 82D03

description: The development of machine-learning (ML) potentials offers significant accuracy improvements compared to molecular mechanics (MM) because of the inclusion of quantum-mechanical effects in molecular interactions. However, ML simulations are several times more computationally demanding than MM simulations, so there is a trade-off between speed and accuracy. One possible compromise are hybrid machine learning/molecular mechanics (ML/MM) approaches with mechanical embedding that treat the intramolecular interactions of the ligand at the ML level and the protein-ligand interactions at the MM level. Recent studies have reported improved protein-ligand binding free energy results based on ML/MM with mechanical embedding, arguing that intramolecular interactions like torsion potentials of the ligand are often the limiting factor for accuracy. This claim is evaluated based on 108 relative binding free energy calculations for four different benchmark systems. As an alternative strategy, we also tested a tool that fits the MM dihedral potentials to the ML level of theory. Overall, the relative binding free energy results from MM with Open Force Field 2.2.0, MM with ML-fitted torsion potentials, and the corresponding ML/MM end-state corrected simulations show no statistically significant differences in the mean absolute errors (between 0.8 and 0.9 kcal/mol). Therefore, a well-parameterized force field is on a par with simple mechanical embedding ML/MM simulations for protein-ligand binding. In terms of computational costs, the reparametrization of poor torsional potentials is preferable over employing computationally intensive ML/MM simulations of protein-ligand complexes with mechanical embedding. Also, the refitting strategy leads to lower variances of the protein-ligand binding free energy results than the ML/MM end-state corrections.
description: 47 pages, 13 figures, 10 tables
Cross Correlations of X-ray and Optically Selected Clusters With Near Infrared and Optical Galaxies
Creators: name: Sanchez, Ariel G.
name: Lambas, Diego G.
name: Boehringer, Hans
name: Schuecker, Peter
Publisher: name: arXiv
Year: 2005
Subjects: subject: Astrophysics (astro-ph)
subject: FOS: Physical sciences

description: We compute the real-space cluster-galaxy cross-correlation xi_cg(r) using the ROSAT-ESO Flux Limited X-ray (REFLEX) cluster survey, a group catalogue constructed from the final version of the 2dFGRS, and galaxies extracted from 2MASS and APM surveys. This first detailed calculation of the cross-correlation for X-ray clusters and groups, is consistent with previous works and shows that xi_cg(r) can not be described by a single power law. We analyse the clustering dependence on the cluster X-ray luminosity L_X and virial mass M_vir thresholds as well as on the galaxy limiting magnitude. We also make a comparison of our results with those obtained for the halo-mass cross-correlation function in a LambdaCDM N-body simulation to infer the scale dependence of galaxy bias around clusters. Our results indicate that the distribution of galaxies shows a significant anti-bias at highly non-linear small cluster-centric distances (b_cg(r) ~ 0.7), irrespective of the group/cluster virial mass or X-ray luminosity and galaxy characteristics, which show that a generic process controls the efficiency of galaxy formation and evolution in high density regions. On larger scales b_cg(r) rises to a nearly constant value of order unity, the transition occuring at approximately 2 Mpch^(-1) for 2dF groups and 5 Mpch^(-1) for REFLEX clusters.
description: 9 pages, 6 figures. Minor changes, replaced to match version accepted for publication in MNRAS
Properties of an organic model $S=1$ Haldane chain system
Creators: name: Jakovac, Ivan
name: Cvitanić, Tonči
name: Arčon, Denis
name: Herak, Mirta
name: Cinčić, Dominik
name: Topić, Nea Baus
name: Hosokoshi, Yuko
name: Ono, Toshio
name: Iwashita, Ken
name: Hayashi, Nobuyuki
name: Amaya, Naoki
name: Matsuo, Akira
name: Kindo, Koichi
name: Lončarić, Ivor
name: Horvatić, Mladen
name: Takigawa, Masashi
name: Grbić, Mihael S.
Publisher: name: arXiv
Year: 2024
Subjects: subject: Strongly Correlated Electrons (cond-mat.str-el)
subject: FOS: Physical sciences

description: We present the properties of a new organic $S=1$ antiferromagnetic chain system $m$-NO$_2$PhBNO (abbreviated BoNO). In this biradical system two unpaired electrons from aminoxyl groups are strongly ferromagnetically coupled ($|J_\text{FM}| /k_B \gtrsim 500$ K) which leads to the formation of an effective $S=1$ state for each molecule. The chains of BoNO biradicals propagate along the crystallographic $a$ axis. Temperature dependence of the $g$ factor and electron paramagnetic resonance (EPR) linewidth are consistent with a low-dimensional system with antiferromagnetic interactions. The EPR data further suggest that BoNO is the first known Haldane system with an almost isotropic $g$ factor ($2.0023 \pm 2 \unicode{x2030}$). The magnetization measurements in magnetic fields up to $40$ T and low-field susceptibility, together with $^1$H nuclear magnetic resonance (NMR) spectra, reveal a dominant intrachain antiferromagnetic exchange coupling of $J_\text{1D}/k_B = (11.3\pm0.1)$ K, and attainable critical magnetic fields of $μ_0 H_\text{c1} \approx 2$ T and $μ_0 H_\text{c2} \approx 33$ T. These measurements therefore suggest that BoNO is a unique Haldane system with extremely small magnetic anisotropy. Present results are crucial for a future in-depth NMR study of the low-temperature Tomonaga-Luttinger liquid (TLL) and magnetic field-induced phases, which can be performed in the entire phase space.
description: 13 pages, 12 figures
On the equation of state of a dense columnar liquid crystal
Creators: name: Wensink, H. H.
Publisher: name: arXiv
Year: 2004
Subjects: subject: Statistical Mechanics (cond-mat.stat-mech)
subject: Soft Condensed Matter (cond-mat.soft)
subject: FOS: Physical sciences

description: An accurate description of a columnar liquid crystal of hard disks at high packing fractions is presented using an improved free-volume theory. It is shown that the orientational entropy of the disks in the one-dimensional fluid direction leads to a different high-density scaling pressure compared to the prediction from traditional cell theory. Excellent quantitative agreement is found with recent Monte-Carlo simulation results for various thermodynamic and structural properties of the columnar state.
description: 4 pages, 2 figures, to appear in Phys. Rev. Lett
Additional file 1 of Variations in soil properties and native woody plant species abundance under Prosopis juliflora invasion in Afar grazing lands, Ethiopia
Creators: name: Abeje Eshete
name: Treydte, Anna C.
name: Mengsteab Hailemariam
name: Negasi Solomon
name: Tatek Dejene
name: Zewdu Yilma
name: Emiru Birhane
Publisher: name: figshare
Year: 2020
Subjects: subject: Ecology
subject: FOS: Biological sciences

description: Additional file 1. Pearson correlation coefficient of AMF associations with soil properties along invasion rate.
Trends and Developments in India's Livestock Industry
Creators: name: Tisdell, Clement A.
name: Gali, Jyothi
name: Tisdell, Clement A.
name: Gali, Jyothi
Publisher: name: Unknown
Year: 2000
Subjects: subject: International Relations/Trade
subject: Livestock Production/Industries
subject: India
subject: Livestock production

description: Since India’s independence some 50 years ago, it has experienced considerable economic growth and structural change; a trend accelerated by its structural reforms which began in 1991. These changes are also reflected in trends in its livestock sector which has shown considerable growth in recent decades (especially since the late 1970s). There have also been major changes in the composition of the Indian livestock sector. The population of non-ruminants (particularly chickens) has expanded very rapidly and so their relative importance has risen substantially. Non-ruminant production (poultry and pigs) has increasingly become commercialised and industrial in nature. Trends and developments in India’s livestock industries since 1961 are outlined. Consequences and prospects for consumption of livestock products in India and international trade are discussed along with the environmental impacts of developments in India’s livestock industries. As observed, livestock developments in India have been significantly influenced by religious and cultural factors. Consequently, the nature of India’s livestock sector is to some extent unique
Tourism and Conservation of Sea Turtles: An Australian Case Study
Creators: name: Tisdell, Clement A.
name: Wilson, Clevo
name: Tisdell, Clement A.
name: Wilson, Clevo
Publisher: name: Unknown
Year: 2000
Subjects: subject: Environmental Economics and Policy
subject: Tourism
subject: FOS: Economics and business
subject: Mon Repos
subject: Sea Turtles
subject: Conservation

description: Reports on turtle-based tourism at Mon Repos in southern Queensland, pointing out that tourism can have either positive or negative effects ecotourism depending on the way it is conducted or developed. However, turtle-based tourism at Mon Repos satisfies the conditions for ecotourism, and in fact has positive consequences for the conservation of marine turtles. Ecotourism based on the turtle rookery at Mon Repos is managed by the Queensland Parks and Wildlife Service and associated with Mon Repos Conservation Park and the abutting Woongarra Marine Park. The evolution of turtle conservation at Mon Repos is outlined, and the nature of a survey of turtle-watching visitors, conducted by the authors, is outlined. Some information is provided on the characteristics of respondents and about the type of information which led them to visit Mon Repos. The ex post willingness of respondents to pay for their turtle experience is estimated along with their considerable consumers’ surplus and this is magnified to take account of all visitors. The significant local (regional) economic impact of turtle-based ecotourism at Mon Repos is also estimated, as well as the educational and conservation impact on visitors of their turtle experience at Mon Repos. It is found that the turtle-based ecotourism facility at Mon Repos is very effective in its educational and conservational impact on visitors, and in fostering social, economic and political support for the conservation of marine turtles.
First-order phase transition of the tethered membrane model on spherical surfaces
Creators: name: Endo, Isao
name: Koibuchi, Hiroshi
Publisher: name: arXiv
Year: 2005
Subjects: subject: Soft Condensed Matter (cond-mat.soft)
subject: Statistical Mechanics (cond-mat.stat-mech)
subject: FOS: Physical sciences

description: We found that three types of tethered surface model undergo a first-order phase transition between the smooth and the crumpled phase. The first and the third are discrete models of Helfrich, Polyakov, and Kleinert, and the second is that of Nambu and Goto. These are curvature models for biological membranes including artificial vesicles. The results obtained in this paper indicate that the first-order phase transition is universal in the sense that the order of the transition is independent of discretization of the Hamiltonian for the tethered surface model.
description: 22 pages with 14 figures
Hysteresis-free magnetization reversal of exchange-coupled bilayers with finite magnetic anisotropy
Creators: name: Vogler, Christoph
name: Heigl, Michael
name: Mandru, Andrada-Oana
name: Hebler, Birgit
name: Marioni, Miguel
name: Hug, Hans Josef
name: Albrecht, Manfred
name: Suess, Dieter
Publisher: name: arXiv
Year: 2020
Subjects: subject: Materials Science (cond-mat.mtrl-sci)
subject: Computational Physics (physics.comp-ph)
subject: FOS: Physical sciences

description: Exchange-coupled structures consisting of ferromagnetic and ferrimagnetic layers become technologically more and more important. We show experimentally the occurrence of completely reversible, hysteresis-free minor loops of [Co(0.2 nm)/Ni(0.4 nm)/Pt(0.6 nm)]$_N$ multilayers exchange-coupled to a 20 nm thick ferrimagnetic Tb$_{28}$Co$_{14}$Fe$_{58}$ layer, acting as hard magnetic pinning layer. Furthermore, we present detailed theoretical investigations by means of micromagnetic simulations and most important a purely analytical derivation for the condition of the occurrence of full reversibility in magnetization reversal. Hysteresis-free loops always occur if a domain wall is formed during the reversal of the ferromagnetic layer and generates an intrinsic hard-axis bias field that overcomes the magnetic anisotropy field of the ferromagnetic layer. The derived condition further reveals that the magnetic anisotropy and the bulk exchange of both layers, as well as the exchange coupling strength and the thickness of the ferromagnetic layer play an important role for its reversibility.
description: 9 pages, 7 figures
Interpreting tunneling spectroscopic maps of a dinuclear Co(II) complex on gold
Creators: name: Robles, Roberto
name: Li, Chao
name: Realista, Sara
name: Martinho, Paulo Nuno
name: Gruber, Manuel
name: Weismann, Alexander
name: Lorente, Nicolás
name: Berndt, Richard
Publisher: name: arXiv
Year: 2024
Subjects: subject: Materials Science (cond-mat.mtrl-sci)
subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: Chemical Physics (physics.chem-ph)
subject: FOS: Physical sciences

description: Scanning tunneling microscope data from a dinuclear Co(II) complex adsorbed on Au(111) are analysed using density functional theory calculations. We find that the interaction with the substrate substantially changes the geometry of the non-planar molecule. Its electronic states, however, remain fairly similar to those calculated for a gas-phase molecule. The calculations reproduce intriguing contrasts observed in experimental maps of the differential conductance dI/dV and reveal the relative importance of geometric and electronic factors that impinge on the image contrasts. For a meaningful comparison, it is important that the calculations closely mimic the experimental mode of measurement.
description: 9 pages, 7 figures
Gravitational Waves from Fundamental Axion Dynamics
Creators: name: Ghoshal, Anish
name: Salvio, Alberto
Publisher: name: arXiv
Year: 2020
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: Cosmology and Nongalactic Astrophysics (astro-ph.CO)
subject: General Relativity and Quantum Cosmology (gr-qc)
subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: A totally asymptotically free QCD axion model, where all couplings flow to zero in the infinite energy limit, was recently formulated. A very interesting feature of this fundamental theory is the ability to predict some low-energy observables, like the masses of the extra fermions and scalars. Here we find and investigate a region of the parameter space where the Peccei-Quinn (PQ) symmetry is broken quantum mechanically through the Coleman-Weinberg mechanism. This results in an even more predictive framework: the axion sector features only two independent parameters (the PQ symmetry breaking scale and the QCD gauge coupling). In particular, we show that the PQ phase transition is strongly first order and can produce gravitational waves within the reach of future detectors. The predictivity of the model leads to a rigid dependence of the phase transition (like its duration and the nucleation temperature) and the gravitational wave spectrum on the PQ symmetry breaking scale and the QCD gauge coupling.
description: 23 pages, 9 figures; accepted for publication in JHEP
Developing Ecotourism for the Survival of Sea Turtles
Creators: name: Tisdell, Clement A.
name: Wilson, Clevo
name: Tisdell, Clement A.
name: Wilson, Clevo
Publisher: name: Unknown
Year: 2000
Subjects: subject: Environmental Economics and Policy
subject: Biodiversity
subject: Economics
subject: Ecotourism
subject: Sea Turtles
subject: Sustainable Tourism
subject: Wildlife Conservation.

description: Discusses generally why humans should bother to conserve sea turtles. In doing so, it considers both economic and non-economic reasons and outlines threats to the existence of sea turtles and ways in which tourism may either contribute to the conservation or decline of their populations. Turtle-based ecotourism at Mon Repos in southern Queensland is described. As a result of a survey conducted by the authors, it is shown that turtle-based ecotourism at Mon Repos has positive social (indirect) consequences for the conservation of sea turtles. Furthermore, it is argued that ecotourism operations at Mon Repos have positive direct impacts on the sustainability of populations of sea turtles. However, using a simple model, it is demonstrated that this impact is limited because turtles are migratory. A model is also developed to capture the possible relationship between turtle populations and the sustainability of ecotourism dependent on turtle populations. It is argued that significant interdependence exists between the sustainability of these two variables.
Cavity collapse near slot geometries
Creators: name: Andrews, Elijah D.
name: Rivas, David Fernández
name: Peters, Ivo R.
Publisher: name: arXiv
Year: 2020
Subjects: subject: Fluid Dynamics (physics.flu-dyn)
subject: FOS: Physical sciences

description: The collapse of a gas or vapour bubble near a solid boundary produces a jet directed towards the boundary. High surface pressure and shear stress induced by this jet can damage, or clean, the surface. More complex geometries will result in changes in collapse behaviour, in particular the direction of the jet. The majority of prior research has focused on simple flat boundaries or limited cases with analytic solutions. We numerically and experimentally investigate how a slot in a flat boundary affects the jet direction for a single bubble. We use a boundary element model to predict how the jet direction depends on key geometric parameters and show that the results collapse to a single curve when the parameters are normalised appropriately. We then experimentally validate the predictions using laser-induced cavitation and compare the experimental results to the predicted dependencies. This research reveals a tendency for the jet to be directed away from a slot and shows that the jet direction is independent of slot height for slots of sufficient height.
Sample-specific and Ensemble-averaged Magnetoconductance of Individual Single-Wall Carbon Nanotubes
Creators: name: Man, H. T.
name: Morpurgo, A. F.
Publisher: name: arXiv
Year: 2004
Subjects: subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: FOS: Physical sciences

description: We discuss magnetotransport measurements on individual single-wall carbon nanotubes with low contact resistance, performed as a function of temperature and gate voltage. We find that the application of a magnetic field perpendicular to the tube axis results in a large magnetoconductance of the order of e^2/h at low temperature. We demonstrate that this magnetoconductance consists of a sample-specific and of an ensemble-averaged contribution, both of which decrease with increasing temperature. The observed behavior resembles very closely the behavior of more conventional multi-channel mesoscopic wires, exhibiting universal conductance fluctuations and weak localization. A theoretical analysis of our experiments will enable to reach a deeper understanding of phase-coherent one-dimensional electronic motion in SWNTs.
description: Replaced with published version. Minor changes in text
Globalisation, WTO and Sustainable Development
Creators: name: Tisdell, Clement A.
name: Tisdell, Clement A.
Publisher: name: Unknown
Year: 2000
Subjects: subject: Environmental Economics and Policy
subject: International Relations/Trade
subject: Resource /Energy Economics and Policy
subject: WTO
subject: Sustainable Development
subject: Globalisation
subject: trade investment
subject: resource and environmental conservation

description: This overview is divided into two main sections. The first sections reviews the literature on the impact of economic globalisation (involving of liberalisation of international trade and investment) on the state of the environment and sustainable development. While the WTO and Bretton Woods institutions believe that this impact can be expected to be favourable, divergent rational views can be found in the economics literature. A review of the relevant literature reveals that the situation is far from being black-and-white – there are grounds for rational doubt not withstanding the use of Environmental Kuznet’s curves, which on the surface seem to provide grounds for optimism. The second main section dealt with the attitude and policies pursued by GATT-WTO in relation to the environment and sustainable development. These appear to be based on orthodox neoclassical economic theory which is mostly static in nature. In practice, virtually no allowance is made by the WTO for the environment and for sustainable development. The Rio Declaration, Agenda 21 and the Winnipeg Principles have had little or no impact on its policies. A charitable interpretation of its policies would be that it is pursuing weak conditions for sustainable development. Both changing public opinion and evolving academic thought are raising major challenges to WTO’s basic theory and its approaches to environmental protection. Different views expressed at the Seattle Meeting cannot continue to be ignored. New efforts are needed to ensure that WTO plays a more constructive role in the future in coordinating trade, environment and development, and a way forward is suggested.
Corotation-bounce resonance of ions in Jupiter's magnetosphere
Creators: name: Sarkango, Y.
name: Szalay, J. R.
name: Damiano, P. A.
name: Sulaiman, A. H.
name: Delamere, P. A.
name: Saur, J.
name: McComas, D. J.
name: Ebert, R. W.
name: Allegrini, F.
Publisher: name: arXiv
Year: 2024
Subjects: subject: Space Physics (physics.space-ph)
subject: Earth and Planetary Astrophysics (astro-ph.EP)
subject: FOS: Physical sciences

description: Banded energy distributions of H$^{+}$, O$^{++}$, S$^{+++}$, and O$^+$ or S$^{++}$ ions between 100 eV to ~20 keV are consistently observed in Jupiter's magnetosphere mapping to M-shells between M=10-20. The bands correspond to flux enhancements at similar speeds for different ion species, providing the first evidence of simultaneous bounce-resonant acceleration of multiple ion species in Jupiter's magnetosphere. Ion enhancements occur for energies at which the bounce frequencies of the trapped ions matched integer harmonics of the System-III corotation frequency. The observations highlight a previously unknown interaction between corotation and bounce motion of <10 keV energy ions that is a fundamental and persistent process occurring in Jupiter's magnetosphere.
Quantum critical point in heavy fermions
Creators: name: Continentino, Mucio Amado
Publisher: name: arXiv
Year: 2004
Subjects: subject: Strongly Correlated Electrons (cond-mat.str-el)
subject: Statistical Mechanics (cond-mat.stat-mech)
subject: FOS: Physical sciences

description: The concept that heavy fermions are close to a quantum critical point and that this proximity determines their physical behavior, has opened new perspectives in the study of these systems. It has provided a new paradigm for understanding and probing the properties of these strongly correlated materials. Scaling ideas were important to establish this approach. We give below a brief and personal account of the genesis of some of these ideas 15 years ago, their implications and the future prospects for this exciting field.
description: 7 pages, 3 figures, to be published in Brazilian Journal of Physics
Environmental Impact of China's Accession to WTO in the Manufacturing Sector
Creators: name: Chai, Joseph C.H.
name: Chai, Joseph C.H.
Publisher: name: Unknown
Year: 2000
Subjects: subject: Industrial Organization
subject: International Relations/Trade
subject: WTO
subject: China
subject: trade liberalization

description: This paper estimates the immediate impact of China's accession to WTO on water, air and soil pollution in the Chinese manufacturing sector. The pollution effects of WTO accession are decomposed into three categories: composition, technical and scale effects. The results suggest that the immediate environmental impact of China's WTO accession will be largely positive. The dismantling of import barriers on China's highly protected heavy industries and the phasing out of MFA enable China to specialize according to its comparative advantage. Its resources will be relocated from capital, land, energy and other natural resources intensive heavy industries and channeled into labor-intensive light industries. As the latter industries are cleaner than the former, the compositional change in Chinese manufactured output would reduce Chinese aggregate pollution level by 4 per cent. At the same time, China 's WTO accession enable China to gain increased access and induces it to adopt cleaner production technology. This would lead to significant drop in the pollution intensity of its manufacturing sector. Though the expansion of the Chinese manufactured sector as a result of China's accession to WTO is likely to increase the emission of all three pollutants, this negative scale effect is not large enough to offset the large environmental gains from increased specialization in light industries and increased access to best international practice in pollution abatement technology. As a result, China is expected to experience a fall in air, soil and aggregate pollution levels after its entry into WTO. However, water pollution is expected to rise.
Optimal conversion of Kochen-Specker sets into bipartite perfect quantum strategies
Creators: name: Trandafir, Stefan
name: Cabello, Adán
Publisher: name: arXiv
Year: 2024
Subjects: subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences
subject: 81P13

description: Bipartite perfect quantum strategies (BPQSs) allow two players isolated from each other to win every trial of a nonlocal game. BPQSs have crucial roles in recent developments in quantum information and quantum computation. However, only few BPQSs with a small number of inputs are known and only one of them has been experimentally tested. It has recently been shown that every BPQS has an associated Kochen-Specker (KS) set. Here, we first prove that any BPQS of minimum input cardinality that can be obtained from a generalized KS set can also be obtained from a KS set of pure states. Then, we address the problem of finding BPQSs of small input cardinality starting from KS sets. We introduce an algorithm that identifies the BPQS with the minimum number of settings for any given KS set. We apply it to many well-known KS sets of small cardinality in dimensions 3, 4, 5, 6, 7, and 8. In each dimension, the algorithm either recovers the best BPQS known or find one with fewer inputs.
description: 19 pages
The Socially Optimal Import Tariff and Tax Credit for Ethanol with Farm Subsidies
Creators: name: De Gorter, Harry
name: Just, David R.
name: Tan, Qinwen
name: De Gorter, Harry
name: Just, David R.
name: Tan, Qinwen
Publisher: name: Unknown
Year: 2009
Subjects: subject: Agricultural and Food Policy
subject: biofuels
subject: ethanol
subject: tariffs
subject: tax credit
subject: welfare

description: We determine how the U.S. ethanol tax credit and import tariff affect the corn-ethanol-gasoline markets and how farm subsidies interact with these policies. We show how the ethanol tax credit and import tariff each uniquely affect the ethanol and gasoline prices. The ethanol import tariff alone increases the terms of trade in ethanol imports and corn exports, but decreases the terms of trade in gasoline imports and the tax costs of farm price supports. With price-contingent farm subsidies in place, the optimal tariff and tax credit will depend on the price level. When farm subsidy expenditures are high, import subsidies for ethanol may increase social welfare due to the substantial size of the fuel market relative to the corn market.
On the numerical approximation of hyperbolic mean curvature flows for surfaces
Creators: name: Deckelnick, Klaus
name: Nürnberg, Robert
Publisher: name: arXiv
Year: 2024
Subjects: subject: Numerical Analysis (math.NA)
subject: FOS: Mathematics

description: The paper addresses the numerical approximation of two variants of hyperbolic mean curvature flow of surfaces in $\mathbb R^3$. For each evolution law we propose both a finite element method, as well as a finite difference scheme in the case of axially symmetric surfaces. We present a number of numerical simulations, including convergence tests as well as simulations suggesting the onset of singularities.
description: 26 pages, 12 figures
On topology optimization of large deformation contact-aided shape morphing compliant mechanisms
Creators: name: Kumar, Prabhat
name: Sauer, Roger A.
name: Saxena, Anupam
Publisher: name: arXiv
Year: 2020
Subjects: subject: Computational Engineering, Finance, and Science (cs.CE)
subject: FOS: Computer and information sciences

description: A topology optimization approach for designing large deformation contact-aided shape morphing compliant mechanisms is presented. Such mechanisms can be used in varying operating conditions. Design domains are described by regular hexagonal elements. Negative circular masks are employed to perform dual task, i.e., to decide material states of each element and also, to generate rigid contact surfaces. Each mask is characterized by five design variables, which are mutated by a zero-order based hill-climbing optimizer. Geometric and material nonlinearities are considered. Continuity in normals to boundaries of the candidate designs is ensured using a boundary resolution and smoothing scheme. Nonlinear mechanical equilibrium equations are solved using the Newton-Raphson method. An updated Lagrange approach in association with segment-to-segment contact method is employed for the contact formulation. Both mutual and self contact modes are permitted. Efficacy of the approach is demonstrated by designing four contact-aided shape morphing compliant mechanisms for different desired curves. Performance of the deformed profiles is verified using a commercial software. The effect of frictional contact surface on the actual profile is also studied
description: 19 pages, 12 figures, 5 tables
Nuclear Model of Binding alpha-particles
Creators: name: Gridnev, K. A.
name: Torilov, S. Yu.
name: Kartavenko, V. G.
name: Greiner, W.
name: Gridnev, D. K.
name: Hamilton, J.
Publisher: name: arXiv
Year: 2004
Subjects: subject: Nuclear Theory (nucl-th)
subject: FOS: Physical sciences

description: The model of binding alpha-particles in nuclei is suggested. It is shown good (with the accuracy of 1-2%) description of the experimental binding energies in light and medium nuclear systems. Our preliminary calculations show enhancement of the binding energy for super heavy nuclei with Z~120.
description: 4 pages, 2 figures, Will be puplished in World Scientific as Procs. Int. Symposium on Exotic Nuclei, "EXON - 2004", July 5 - 12, 2004, Peterhof, Russia
Eddy Current Testing of Metal Cracks Using Spin Hall Magnetoresistance Sensor and Machine Learning
Creators: name: Xu, Yanjun
name: Yang, Yumeng
name: Wu, Yihong
Publisher: name: arXiv
Year: 2020
Subjects: subject: Materials Science (cond-mat.mtrl-sci)
subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: FOS: Physical sciences

description: Recently we have developed a spin Hall magnetoresistance (SMR) sensor which operates under AC bias and sense currents. Here we demonstrate both theoretically and experimentally that the SMR sensor is uniquely suited for eddy current testing applications because both the coil and sensor utilize AC current as the excitation source. The use of SMR sensor effectively eliminates the necessity of any demodulation or lock-in technique for detecting the eddy current, which greatly simplifies the detection system. Furthermore, we show that the combination of principal component analysis and decision tree model is effective in classifying the metal cracks. The relatively clean signals obtained by the SMR sensor greatly facilitates the subsequent signal analysis and ensures high accuracy in the classification of different types of crack features.
description: 7 pages and 7 figures
title: Testing the Validity and Reliability of the Barriers to Home Bowel Cancer Screening Scale
Creators: name: Roe, Corina
Publisher: name: University of Southern Queensland
Year: 2023
Subjects: classificationCode: 520399
subject: Clinical and health psychology not elsewhere classified
classificationCode: 420603
subject: Health promotion

description: The purpose of this research is part of a USQ larger teamwork effort lead by Belinda Goodwin and Michael Ireland to improve outcomes in Home Bowel Cancer screening within the National Bowel Cancer Screening Program (NBCSP) to eligible Australians.
Objective: This particular thesis focuses on assessing the validity and reliability of a psychometric tool called Barriers to Bowel Cancer screening Scale (hereon BB-CanS) for measuring common barriers to home bowel cancer screening in a larger novel sample, via mailed kits dispensed to eligible Australians through the NBCSP.
Methods: Forty-nine items measuring barriers to bowel cancer screening, identified through the literature, and qualitative and quantitative research in the derivation study were presented to a large sample (N = 1158) of Australian NBCSP recipients age (50-74 years old). Invitees’ previous screening information and demographic information was also gathered. Confirmatory factor analysis was used to assess whether the factor structure, construct validity and internal reliability of the scale remained stable in the current sample.
Results: The ‘good model fit’ of the BB-Cans confirmed in the current sample (RMSEA = .034, RMSEA 90% CI [.032, .036], CFI = .972, TLI = .970, SRMR = .058). Consistent with original scale results, four clear barrier types to screening (factors) were confirmed, namely disgust for the process of screening, avoidance of test outcomes, practical ii difficulties (or challenges), and the need for greater autonomy. The BB-CanS also includes three stand-alone items corresponding to the most commonly-cited barriers to screening (screening outside of the program, lack of planning, misplacing the kit) in addition to the four clear and highly-correlated barrier types cited above. The scale was further refined in an effort to improve fit, with the removal of seven items; therefore a 39-item scale was retained as a final version (RMSEA = .029, RMSEA 90% CI [.027, .032], CFI = .982, TLI = .981, SRMR = .050). The 39-item brief version of the scale confirmed the scale’s construct validity across age and gender groups.
Conclusions: The BB-CanS is a valid and reliable scale and the findings support the results of the 2021 derivation study by Goodwin and colleagues. Findings of the current study call to apply multi‐faceted intervention strategies that address the broad range of barrier types covered by the four factors, as opt-out NBCSP participants reported significantly higher ratings across all barriers. This thesis’ findings will inform the strategies design and planning of the ongoing/future initiatives that focus on promoting NBCSP participation.
Additional file 4 of MAGE-A4, NY-ESO-1 and SAGE mRNA expression rates and co-expression relationships in solid tumours
Creators: name: Ishihara, Mikiya
name: Kageyama, Shinichi
name: Miyahara, Yoshihiro
name: Ishikawa, Takeshi
name: Shugo Ueda
name: Soga, Norihito
name: Naota, Hiroaki
name: Mukai, Katsumi
name: Naozumi Harada
name: Ikeda, Hiroaki
name: Shiku, Hiroshi
Publisher: name: figshare
Year: 2020
Subjects: subject: Space Science
subject: Microbiology
subject: FOS: Biological sciences
subject: Cell Biology
subject: Genetics
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology

description: Additional file 4 Table 2. MAGE-A4 and NY-ESO-1 IHC analyses of mRNA-assessed tumour samples.
Extended nonergodic regime and spin subdiffusion in disordered SU(2)-symmetric Floquet systems
Creators: name: Yang, Zhi-Cheng
name: Nicholls, Stuart
name: Cheng, Meng
Publisher: name: arXiv
Year: 2020
Subjects: subject: Disordered Systems and Neural Networks (cond-mat.dis-nn)
subject: Statistical Mechanics (cond-mat.stat-mech)
subject: Strongly Correlated Electrons (cond-mat.str-el)
subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: We explore thermalization and quantum dynamics in a one-dimensional disordered SU(2)-symmetric Floquet model, where a many-body localized phase is prohibited by the non-abelian symmetry. Despite the absence of localization, we find an extended nonergodic regime at strong disorder where the system exhibits nonthermal behaviors. In the strong disorder regime, the level spacing statistics exhibit neither a Wigner-Dyson nor a Poisson distribution, and the spectral form factor does not show a linear-in-time growth at early times characteristic of random matrix theory. The average entanglement entropy of the Floquet eigenstates is subthermal, although violating an area-law scaling with system sizes. We further compute the expectation value of local observables and find strong deviations from the eigenstate thermalization hypothesis. The infinite temperature spin autocorrelation function decays at long times as $t^{-β}$ with $β< 0.5$, indicating subdiffusive transport at strong disorders.
description: updated to accepted version
"ins1117704_resources.tar.gz" of "Hunt for new phenomena using large jet multiplicities and missing transverse momentum with ATLAS in 4.7 fb^-1 of sqrt(s) = 7 TeV proton-proton collisions"
Creators: name: ATLAS Collaboration
Publisher: name: HEPData
Year: 2012

description: Link to the files of: acceptances, efficiences, errors and CLs values (unpack then view index.html)
description: CERN-LHC. Study of final states from proton-proton interactions at a centre-of-mass energy of 7 TeV having >=6 to >=9 jets in association with missing transverse momentum and no isolated electrons or muons. The data sample, collected in 2011, has a total integrated luminsoity of 4.7 pb-1. The results are interpretated in the context of a MSUGRA/CMSSM SUSY model and also a simplified model containing only a gluino octet and a neutralino. Distributions of Missing-ET/sqrt(HT), where HT is the scalar sum of the transverse momentum of the jets, are given here for 6 signal regions from minimum 6 to 9 jets with minimum PT > 55 and 80 GeV. Tables of acceptances, efficiencies, errors and CLs value for each signal region for both SUSY models are also provided in the link below.
Additional file 3 of MAGE-A4, NY-ESO-1 and SAGE mRNA expression rates and co-expression relationships in solid tumours
Creators: name: Ishihara, Mikiya
name: Kageyama, Shinichi
name: Miyahara, Yoshihiro
name: Ishikawa, Takeshi
name: Shugo Ueda
name: Soga, Norihito
name: Naota, Hiroaki
name: Mukai, Katsumi
name: Naozumi Harada
name: Ikeda, Hiroaki
name: Shiku, Hiroshi
Publisher: name: figshare
Year: 2020
Subjects: subject: Space Science
subject: Microbiology
subject: FOS: Biological sciences
subject: Cell Biology
subject: Genetics
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology

description: Additional file 3 Table 1. Median levels of CT antigen mRNAs in each CT antigen-positive tumour type.
Multiple Global Peaks Big Bang-Big Crunch Algorithm for Multimodal Optimization
Creators: name: Stroppa, Fabio
name: Astar, Ahmet
Publisher: name: arXiv
Year: 2024
Subjects: subject: Neural and Evolutionary Computing (cs.NE)
subject: Artificial Intelligence (cs.AI)
subject: FOS: Computer and information sciences

description: The main challenge of multimodal optimization problems is identifying multiple peaks with high accuracy in multidimensional search spaces with irregular landscapes. This work proposes the Multiple Global Peaks Big Bang-Big Crunch (MGP-BBBC) algorithm, which addresses the challenge of multimodal optimization problems by introducing a specialized mechanism for each operator. The algorithm expands the Big Bang-Big Crunch algorithm, a state-of-the-art metaheuristic inspired by the universe's evolution. Specifically, MGP-BBBC groups the best individuals of the population into cluster-based centers of mass and then expands them with a progressively lower disturbance to guarantee convergence. During this process, it (i) applies a distance-based filtering to remove unnecessary elites such that the ones on smaller peaks are not lost, (ii) promotes isolated individuals based on their niche count after clustering, and (iii) balances exploration and exploitation during offspring generation to target specific accuracy levels. Experimental results on twenty multimodal benchmark test functions show that MGP-BBBC generally performs better or competitively with respect to other state-of-the-art multimodal optimizers.
description: 16 pages
Probing the precession of the inner accretion disk in Cygnus X-1
Creators: name: Torres, Diego F.
name: Romero, Gustavo E.
name: Barcons, Xavier
name: Lu, Youjun
Publisher: name: arXiv
Year: 2005
Subjects: subject: Astrophysics (astro-ph)
subject: FOS: Physical sciences

description: We show that changes in the orientation of the inner accretion disk of Cygnus X-1 affect the shape of the broad Fe K$α$ emission line emitted from this object, in such a way that eV-level spectral resolution observations (such as those that will be carried out by the {\it ASTRO-E2} satellite) can be used to analyze the dynamics of the disk. We here present a potential diagnostic tool, supported by numerical simulations, by which a few observations of Cygnus X-1, separated in time, can determine whether its accretion disk actually precesses, and if so, determine its period and precession angle. This approach could also be used for similar studies in other microquasar systems.
description: To appear in The Astrophysics Journal
Spatial averaging for light reflection and transmission through cold atom arrays
Creators: name: Robicheaux, F.
Publisher: name: arXiv
Year: 2024
Subjects: subject: Quantum Physics (quant-ph)
subject: Atomic Physics (physics.atom-ph)
subject: Optics (physics.optics)
subject: FOS: Physical sciences

description: We theoretically and computationally investigate the role that the spatial spread of atoms plays in the transmission and reflection of weak light from atom arrays. In particular, we investigate whether coherent wave functions for the atoms' positions leads to different results from a thermal distribution with the same spatial spread. We find that the coherence is not relevant when the light is weak and the electronic states evolve on time scales shorter than the oscillation period of the atoms in their traps. Full numerical calculations and derivations using the sudden approximation show that reflection and transmission agree with the simple averaging over atom positions for these conditions. For parameters outside these restrictions, the simple spatial averaging may lead to inaccurate results.
A New Class of Path Equations in AP-Geometry
Creators: name: Wanas, M. I.
name: Kahil, M. E.
Publisher: name: arXiv
Year: 2004
Subjects: subject: General Relativity and Quantum Cosmology (gr-qc)
subject: Differential Geometry (math.DG)
subject: FOS: Physical sciences
subject: FOS: Mathematics

description: In the present work, it is shown that, the application of the Bazanski approach to Lagrangians, written in AP-geometry and including the basic vector of the space, gives rise to a new class of path equations. The general equation representing this class contains four extra terms, whose vanishing reduces this equation to the geodesic one. If the basic vector of the AP-geometry is considered as playing the role of the electromagnetic potential, as done in a previous work, then the second term (of the extra terms) will represent Lorentz force while the fourth term gives a direct effect of the electromagnetic potential on the motion of the charged particle. This last term may give rise to an effect similar to the Aharanov-Bohm effect. It is to be considered that all extra terms will vanish if the space-time used is torsion-less.
description: 11 pages, LaTeX file
Mechanics and dynamics of serrated end mills
Creators: name: Merdol, Sukru Doruk
Publisher: name: University of British Columbia
Year: 2009

description: Roughing, semi-finishing and finish milling operations constitute most significant portion in manufacturing aerospace parts. Thermally resistant materials, such as Titanium and Nickel alloys are rough milled using end mills with serrated or wavy profiles on their cutting edges. The serrations must be designed to have a phase shift from one flute to another in order to prevent unstable, self excited chatter vibrations during machining. Finish milling is usually required in peripheral milling of thin aircraft webs with long end mills where the structures are flexible and radial depth of cuts are small. The spindle speed and depth of cut must be selected optimally to avoid both forced and chatter vibrations in order to produce the parts within specified tolerances. The thesis presents mathematical model of serrated cutter profiles and their influence on chip load, force, torque, power and vibrations. The waves ground on the flutes are represented mathematically by cubic splines. The chip load distribution is predicted by integrating spline representation of flutes and previously developed kinematic model of dynamic milling which considers the structural vibrations. The cutting forces, torque, power, vibrations and surface form errors are predicted using time domain solution of the process. The chatter vibration stability is studied both in time and frequency domain when the radial immersion is small in milling operations. The physics behind the use of average and multiple harmonics of directional coefficients are explained in frequency domain solution of stability lobes. It is shown that multiple harmonics of the directional factors predict extra stability lobes at odd multiples of half tooth passing frequencies. The analytical solution favorably is verified by exact, time domain solution of the dynamic problem. The solution is also compared against specially designed milling experiments.
Multiple metastable states in an off-lattice Potts model
Creators: name: Farías, Constanza
name: Davis, Sergio
Publisher: name: arXiv
Year: 2020
Subjects: subject: Statistical Mechanics (cond-mat.stat-mech)
subject: FOS: Physical sciences

description: The interactions between a group of components are commonly studied in several areas of science (social science, biology, material science, complex dynamical systems, among others) using the methods of thermodynamics and statistical mechanics. In this work we study the properties of the recently proposed off-lattice, two-dimensional Potts model [Eur. Phys. J. B 87, 78 (2014)], originally motivated by the dynamics of agent opinions, and which is described by a Hamiltonian obtained by a maximum entropy inference procedure. We performed microcanonical and canonical Monte Carlo simulations of the first-order phase transition in the model, revealing a caloric curve with metastable regions. Furthermore, we report a "switching" behavior between multiple metastable states. We also note that the thermodynamics of the model has striking similarities with systems having long-range interactions, even though the interactions are short-ranged.