bluuebunny/crossref_metadata_2025 huggingface dataset:
Thermoplasmonic-biosensing demonstration based on the photothermal response of metallic nanoparticles
Authors: Palermo G. , Strangi G.
Published: October 2020

In this paper, we describe how it is possible to harness the photo-thermal effects occurring in metallic nanoparticles to develop molecular sensors. In particular, we numerically demonstrate how a change of the surrounding medium affects the localized surface plasmon resonance with a consequent shift of the corresponding resonance wavelength, enabling the detection of analytes on metal nanospheres. At the same time, the photothermal response of the nanostructures is modified because of the shift of the plasmonic resonance due to the variation of the refractive index of the host medium. By monitoring the photothermal response, it is possible to quantify the concentration of the analytes binding at the metal nanoparticle surface.
Influence of composition on the mechanical properties of metallic nanoglasses: Insights from molecular dynamics simulation
Authors: Ma J. L. , Song H. Y. , Wang J. Y. , Dai J. L. , Li Y. L.
Published: October 2020

The introduction of a glass–glass interface is an effective way to improve the plasticity of metallic glass. However, the strength–plasticity trade-off has not still been effectively overcome. Here, the effect of the composition on the mechanical properties and deformation behavior of the CuZr nanoglass (NG) is investigated under tensile loading by a molecular dynamics simulation. The results indicate that high-performance NGs can be obtained by adjusting the percentage of Cu atoms. There is a critical Cu content (i.e., 75%), which makes the NGs have both high strength and high plasticity. The results show that with the increase in the Cu content, the deformation mechanism of the NGs changes from necking to uniform plastic deformation and then to the nucleation and the growth of the main shear band. Our results underscore the importance of the composition in the design and preparation of high-performance metallic glass.
Homogeneous water nucleation: Experimental study on pressure and carrier gas effects
Authors: Campagna M. M. , Hrubý J. , van Dongen M. E. H. , Smeulders D. M. J.
Published: October 2020

Homogeneous nucleation of water is investigated in argon and in nitrogen at about 240 K and 0.1 MPa, 1 MPa, and 2 MPa by means of a pulse expansion wave tube. The surface tension reduction at high pressure qualitatively explains the observed enhancement of the nucleation rate of water in argon as well as in nitrogen. The differences in nucleation rates for the two mixtures at high pressure are consistent with the differences in adsorption behavior of the different carrier gas molecules. At low pressure, there is not enough carrier gas available to ensure the growing clusters are adequately thermalized by collisions with carrier gas molecules so that the nucleation rate is lower than under isothermal conditions. This reduction depends on the carrier gas, pressure, and temperature. A qualitative agreement between experiments and theory is found for argon and nitrogen as carrier gases. As expected, the reduction in the nucleation rates is more pronounced at higher temperatures. For helium as the carrier gas, non-isothermal effects appear to be substantially stronger than predicted by theory. The critical cluster sizes are determined experimentally and theoretically according to the Gibbs–Thomson equation, showing a reasonable agreement as documented in the literature. Finally, we propose an empirical correction of the classical nucleation theory for the nucleation rate calculation. The empirical expression is in agreement with the experimental data for the analyzed mixtures (water–helium, water–argon, and water–nitrogen) and thermodynamic conditions (0.06 MPa–2 MPa and 220 K–260 K).
Classification of drying segregation states by a generalized diffusion model
Authors: Tatsumi Rei , Koike Osamu , Yamaguchi Yukio , Tsuji Yoshiko
Published: October 2020

During drying of binary colloidal mixtures, one colloidal particle component can segregate to the top surface. We investigate conditions where the segregation occurs through the analysis of a linearized diffusion model with Fick’s law generalized for binary colloidal mixtures. The present model is the simplest representation that includes cross-diffusion between different particle components to describe the segregation. Using the analytical solutions of this model, we classify states in terms of which the particle component segregates for the following variables: the mixture ratio of particle components, diffusion coefficients, and drying rates. The obtained state diagrams suggest how to control the segregation by designing material and operation conditions.
On-chip coherent frequency-domain THz spectroscopy for electrical transport
Authors: Yoshioka Katsumasa , Kumada Norio , Muraki Koji , Hashisaka Masayuki
Published: October 2020

We developed a coherent frequency-domain terahertz (THz) spectroscopic technique on a coplanar waveguide in the ultrabroad frequency range from 200 MHz to 1.6 THz based on continuous wave (CW) laser spectroscopy. Optical beating created by mixing two frequency-tunable CW lasers is focused on photoconductive switches to generate and detect high-frequency current in a THz circuit. In contrast to time-domain spectroscopy, our frequency-domain spectroscopy enables an unprecedented frequency resolution of 10 MHz without using the complex building blocks of femtosecond laser optics. Furthermore, due to the coherent nature of the photomixing technique, we are able to identify the origin of multiple reflections in the time domain using the Hilbert analysis and inverse Fourier transform. These results demonstrate that the advantages of on-chip coherent frequency-domain spectroscopy, such as its broadband, frequency resolution, usability, and time-domain accessibility, provide a unique capability for measuring ultrafast electron transport in integrated THz circuits.
Molecular motions of acetonitrile molecules in the solvation shell of lithium ions
Authors: Chen Xiaobing , Kuroda Daniel G.
Published: October 2020

Lithium ion solutions in organic solvents have become ubiquitous because of their use in energy storage technologies. The widespread use of lithium salts has prompted a large scientific interest in elucidating the molecular mechanisms, giving rise to their macroscopic properties. Due to the complexity of these molecular systems, only few studies have been able to unravel the molecular motions and underlying mechanisms of the lithium ion (Li+) solvation shell. Lately, the atomistic motions of these systems have become somewhat available via experiments using ultrafast laser spectroscopies, such as two-dimensional infrared spectroscopy. However, the molecular mechanism behind the experimentally observed dynamics is still unknown. To close this knowledge gap, this work investigated solutions of a highly dissociated salt [LiTFSI: lithium bis(trifluoromethanesulfonyl)imide] and a highly associated salt (LiSCN: lithium thiocyanate) in acetonitrile (ACN) using both experimental and theoretical methods. Linear and non-linear infrared spectroscopies showed that Li+ is found as free ions and contact ion pairs in ACN/LiTFSI and ACN/LiSCN systems, respectively. In addition, it was also observed from the non-linear spectroscopy experiments that the dynamics of the ACN molecules in the Li+ first solvation shell has a characteristic time of ∼1.6 ps irrespective of the ionic speciation of the cation. A similar characteristic time was deducted from ab initio molecular dynamics simulations and density functional theory computations. Moreover, the theoretical calculations showed that molecular mechanism is directly related to fluctuations in the angle between Li+ and the coordinated ACN molecule (Li+⋯N≡C), while other structural changes such as the change in the distance between the cation and the solvent molecule (Li+⋯N) play a minor role. Overall, this work uncovers the time scale of the solvent motions in the Li+ solvation shell and the underlying molecular mechanisms via a combination of experimental and theoretical tools.
Calculation of magnetic properties with density functional approximations including rung 3.5 ingredients
Authors: Scalmani Giovanni , Frisch Michael J. , Janesko Benjamin G.
Published: October 2020

Density functional theory is widely used for modeling the magnetic properties of molecules, solids, and surfaces. Rung-3.5 ingredients, based on the expectation values of nonlocal one-electron operators, are new promising tools for the construction of exchange-correlation functional approximations. We present the formal extension of rung-3.5 ingredients to the calculation of magnetic properties. We add to the underlying nonlocal operators a dependence on the gauge of the magnetic field, and we derive the working equations for rung-3.5 expectation values in basis sets of gauge-including atomic orbitals. We demonstrate that the gauge corrections are significant. We conclude with an initial study of chemical shifts, optical rotatory dispersion, and Raman optical activity spectra predicted by M11plus, a range-separated hybrid meta functional incorporating nonlocal rung-3.5 correlation. M11plus proves to be reasonably accurate, further motivating the incorporation of nonlocal rung-3.5 ingredients in new density functional approximations.
The effect of annealing process on the performance of strain nickel–chromium thin film sensor
Authors: Ren Zhiqiang , Wu Wenge , Song Ding , Cheng Yunping
Published: October 2020

In order to reduce the resistance value of the sputtering thin film resistor grid and improve the adhesion of the film, a thin film sensor with the NiCr film as a sensitive layer on a 304 stainless steel substrate is annealed in the N2 environment. During the experiment, it is found that the different annealing temperatures (300 °C, 350 °C, 400 °C, 450 °C, and 500 °C) can effectively reduce the resistance value of the thin film resistor grid; the decrease is the largest at 450 °C, and the resistance value change is 1.77 kΩ. The small resistance value enables the thin film sensor to detect smaller strain and has higher measurement accuracy. The thin film has the strongest adhesion on the substrate at 350 °C and 30 min, which is about 37.5% higher than that of the sputtering state. The increase in adhesion makes the thin film less likely to crack and fall off prematurely, which can expand the measuring force range. In addition, the atomic force microscopy results demonstrate that the thin film annealed at a higher annealing temperature has higher surface roughness, which may be caused by the phenomenon of original grain clusters after annealing. In addition, the temperature coefficient of resistance value and strain sensitivity coefficient (kn) increase with the increase in the annealing temperature, with kn increasing only slightly.
Fast experimental estimation of texture distribution and alignment degree in permanent magnets
Authors: Quispe L. T. , Röhrig M. , Monteiro J. L. , Lopes L. U. , Wendhausen P. A.
Published: October 2020

Determining the texture distribution of permanent magnets is very useful since this information allows us to relate the macroscopic properties with the microstructural characteristics of the magnet through a statistical average. Usually, this distribution is determined by x-ray diffraction (θ–2θ, rocking curve, pole figures) or electron backscatter diffraction. However, for manufacturing process control purposes, these techniques are not necessarily appropriate because those analyses are relatively time-consuming and require sophisticated equipment, and the analyzed volume of the sample is not statistically representative of the magnet. In this context, this paper presents a route based on magnetometry, which, together with an appropriate mathematical approach, turns out to be an advantageous methodology, capable to provide statistically reliable information, faster, and with less sophisticated laboratory infrastructure.
A trial of transmitter attachment methods for Shark Bay bandicoots (Perameles bougainville)
Authors: Sims Colleen , Rayner Kelly , Knox Fiona , Cowen Saul
Published: October 2020

In mammal reintroductions, effective post-release monitoring often relies on the use of radio-transmitters. Collars are a popular attachment technique but are not necessarily appropriate for all taxa. However, other attachment methods may result in substantially reduced monitoring durations. We assessed several transmitter types for the Shark Bay bandicoot (Perameles bougainville), aiming to optimise animal welfare and attachment duration. Collars (fitted under general anaesthetic) were considered the optimal method and 12 bandicoots were collared and monitored as part of a reintroduction program. We found that our collars permitted monitoring for up to seven weeks, while causing minimal harm to the animals.
Stigma, separation, sorrow: leprosy in Australia
Authors: Davis Jenny
Published: October 2020

Leprosy (Hansen’s disease) was introduced to Australia in the mid-1800s and its story reflects the attitudes of the 19th and 20th centuries, with treatment including segregation, paternalism, and racism. The approaches taken within the Australian states were similar and based on isolating people affected by leprosy, as both a measure to assist the patient but, more importantly, to protect the European society. The most devastating effects of this introduced disease and these approaches were on Indigenous Australians. With the advent of effective antimicrobials, isolation practices were slowly replaced with community-based treatment. However, the term ‘leper’ still evokes negative images in Australian society today.
Phenology and litter production in the mangrove genus Xylocarpus along rainfall and temperature gradients in tropical Australia
Authors: Robertson Alistar I. , Dixon Paul , Zagorskis Irena
Published: October 2020

We investigated how variation in climate influences the timing and intensity of phenological events in two species of the mangrove genus Xylocarpus. Leaf fall in Xylocarpus granatum was continuous in high rainfall sites but was seasonal at sites with long dry seasons. Xylocarpus moluccensis is deciduous, and leaf shedding occurred over 1–2 months at different times in dry season months. Budding and flowering were tightly coupled in X. granatum and occurred in the wet season. At the highest rainfall site, flower fall in X. moluccensis occurred in the mid-wet season, but occurred 9 months later at other sites with protracted dry seasons. For X. moluccensis, the quantities of leaves, buds, flowers and total litter fall were negatively related to annual rainfall, whereas bud fall was negatively related to air temperature. Variations in the quantity of litter produced by X. granatum were not explained by the environmental variables considered. Mean litter production was significantly greater for X. moluccensis than X. granatum (5.16 v. 3.37Mgh–1 year–1 respectively). Mixed forest litter production was greater in forests containing X. moluccensis than X. granatum (7.86 v. 5.95Mgh–1 year–1 respectively). X. granatum has a more plastic response to environmental drivers of canopy production than X. moluccensis.
Roost use and thermoregulation by female Australian long-eared bats (Nyctophilus geoffroyi and N. gouldi) during pregnancy and lactation
Authors: Turbill Christopher , Körtner Gerhard , Geiser Fritz
Published: October 2020

Small insectivorous bats commonly use torpor while day-roosting, even in summer. However, reproductive female bats are believed to benefit from avoiding torpor because a constant, elevated body temperature maximises the rate of offspring growth, which could increase offspring survival. We used temperature-sensitive radio-transmitters to locate roosts and document the thermal biology of pregnant and lactating females of Nyctophilus geoffroyi (9 g) and N. gouldi (11 g) at a woodland in a cool temperate climate. Unlike males, reproductive female Nyctophilus spp. roosted as small groups (<25) within insulated tree cavities. Roost switching occurred every 3.7 ± 1.5 (N. geoffroyi) or 1.7 ± 0.8 days (N. gouldi), and radio-tagged individuals roosted together and apart on different days. Skin temperature during roosting was most often between 32 and 36°C, and torpor was used infrequently. Male Nyctophilus have been shown in previous studies to use torpor daily during summer. These contrasting torpor patterns likely reflect the warmed cavities occupied by maternity colonies and the thermally unstable shallow crevices occupied by individual males. Our results support the hypothesis that availability of thermally suitable roosts will influence thermoregulatory patterns of reproductive females and hence the growth rates and survival of their offspring. Thus, it is important to conserve woodland habitat with trees in a range of decay stages to provide opportunities for selection and movement among roost trees by reproductive female bats.
Defining principles that influence antimicrobial peptide activity against capsulated
Klebsiella pneumoniae
Authors: Fleeman Renee M. , Macias Luis A. , Brodbelt Jennifer S. , Davies Bryan W.
Published: October 2020

Significance

The capsule of
Klebsiella pneumoniae
is composed of extracellular polysaccharides that inhibit the activity of host defense peptides and polymyxins. We generated an active antimicrobial peptide from a previously inactive parental peptide and characterized the interactions of these peptides with
K. pneumoniae
and its capsule. Compared with the inactive parent peptide, we found that our active peptide retained strong binding to capsule but lost structural integrity. These interactions induced capsule aggregation and capsule disruption, a previously undescribed mechanism for promoting antimicrobial activity toward
K. pneumoniae
. This finding may allow further exploitation of this mechanism to destroy the protective capsule that
K. pneumoniae
uses to resist our immune response and antibiotics.
Broad distributions of transition-path times are fingerprints of multidimensionality of the underlying free energy landscapes
Authors: Satija Rohit , Berezhkovskii Alexander M. , Makarov Dmitrii E.
Published: October 2020

Significance

The function of biomolecules is controlled by the energy landscapes traversed when they fold, bind to other molecules, generate mechanical motion, or catalyze chemical reactions. Information about such landscapes is encoded in single-molecule observations of transition paths, i.e., brief events where molecules cross activation barriers, but teasing out dynamical details from inherently low-dimensional experimental signals is a challenge. Here, we ask a question of principle: How can one decide whether an observed biomolecular transition can be represented as motion along a one-dimensional reaction coordinate or multidimensionality is essential? We establish a rigorous constraint on the width of the distribution of transition path times, violation of which necessitates use of multidimensional models for the interpretation of experimental data.
Strong sequentially bridged MXene sheets
Authors: Wan Sijie , Li Xiang , Wang Yanlei , Chen Ying , Xie Xi , Yang Rui , Tomsia Antoni P. , Jiang Lei , Cheng Qunfeng
Published: October 2020

Significance

The obstacles limiting the practical applications of promising titanium carbide MXene macroscopic sheets are poor mechanical and oxidation-resistant properties. Herein, we demonstrate strong and highly electrically conductive MXene sheets through sequential bridging of hydrogen and ionic bonding, also achieving high shielding efficiency and excellent fatigue and oxidation resistance. The synergistic strengthening and toughening mechanism was thoroughly revealed by experiments and molecular dynamics simulations. The proposed sequential bridging strategy in this article provides an avenue for assembling high-performance MXene materials having potential applications in flexible electronic devices and aerospace in the near future.
Neurotypical individuals fail to understand action vitality form in children with autism spectrum disorder
Authors: Casartelli Luca , Federici Alessandra , Fumagalli Lucia , Cesareo Ambra , Nicoli Monica , Ronconi Luca , Vitale Andrea , Molteni Massimo , Rizzolatti Giacomo , Sinigaglia Corrado
Published: October 2020

Significance

Action vitality forms are highly pervasive aspects of daily life and have been widely assumed to be critical for basic social interactions. Previous evidence indicates that ASD children express their own vitality forms in a way that is motorically dissimilar to TD children. Here we demonstrate that this motor dissimilarity prevents neurotypical adults from recognizing vitality forms, when observing ASD children acting gently or rudely. Although ASD children differentiate these vitality forms, neurotypical adults were remarkably inaccurate in identifying them. This indicates that difficulty in social interaction for ASD individuals should not be entirely ascribed to their lack of understanding others, as standardly assumed. The failure of neurotypical individuals to understand them plays a critical role too.
Mosquito metabolomics reveal that dengue virus replication requires phospholipid reconfiguration via the remodeling cycle
Authors: Vial Thomas , Tan Wei-Lian , Deharo Eric , Missé Dorothée , Marti Guillaume , Pompon Julien
Published: October 2020

Dengue virus (DENV) subdues cell membranes for its cellular cycle by reconfiguring phospholipids in humans and mosquitoes. Here, we determined how and why DENV reconfigures phospholipids in the mosquito vector. By inhibiting and activating the de novo phospholipid biosynthesis, we demonstrated the antiviral impact of de novo–produced phospholipids. In line with the virus hijacking lipids for its benefit, metabolomics analyses indicated that DENV actively inhibited the de novo phospholipid pathway and instead triggered phospholipid remodeling. We demonstrated the early induction of remodeling during infection by using isotope tracing in mosquito cells. We then confirmed in mosquitoes the antiviral impact of de novo phospholipids by supplementing infectious blood meals with a de novo phospholipid precursor. Eventually, we determined that phospholipid reconfiguration was required for viral genome replication but not for the other steps of the virus cellular cycle. Overall, we now propose that DENV reconfigures phospholipids through the remodeling cycle to modify the endomembrane and facilitate formation of the replication complex. Furthermore, our study identified de novo phospholipid precursor as a blood determinant of DENV human-to-mosquito transmission.
Learning from Vernon’s Isotype test
Authors: Waller Robert
Published: October 2020

This paper goes back to the 1970s, the decade when IDJ was born, to recall a collaboration with Marie Neurath of the Isotype Institute. The project challenged a widely published research project on Isotype charts by psychologist Magdalen Vernon, and the original sketches and design drafts are used to make observations about Isotype, design expertise and design research.
The DNA of information design for charts and diagrams
Authors: Richards Clive , Engelhardt Yuri
Published: October 2020

A comprehensive framework is presented for analyzing and specifying an extensive range of visualizations, such as
statistical charts, maps, family trees, Venn diagrams, flow charts, texts using indenting, technical drawings and scientific
illustrations. This paper describes how the fundamental ‘DNA’ building blocks of visual encoding and composition can be combined
into ‘visualization patterns’ that specify these and other types of visualizations. We offer different ways of specifying each
visualization pattern, including through a DNA tree diagram and through a rigorously systematic natural language sentence. Using
this framework, a design tool is proposed for exploring visualization design options.
Information design from my window
Authors: Frascara Jorge
Published: October 2020

Information Design and its supporting research developed in parallel. Information design cannot exist without research. During the last 50 years, the development of my information design practice was prompted and shaped by demanding interdisciplinary projects, by intelligent colleagues and experts in design and psychology, and by reading this journal.
Working Royals, Megxit and Prince Andrew’s disastrous BBC interview
Authors: Chichon Jagon P.
Published: October 2020

This research incorporates Corpus Linguistic techniques with the socio-cognitive approach (SCA) to Critical Discourse
Studies (CDS) to analyse the discursive representation of the British Monarchy (BM) through the categorisation of its individual members
within the Now Corpus from 2010–2020. Analysis concentrated on their categorisation around key events over the ten-year period, most notably
the accusations that Prince Andrew had sexual relations with a minor and Prince Harry’s and Meghan Markle’s decision to relinquish their
roles within the Monarchy. Significantly, the Royals were positively represented through the affixation of agency and active form to attach
them to positive actions, for instance, performing work and charity related duties. Negativity was deemphasised via the removal of agency,
passive use and a refocus onto less serious acts which distanced them, particularly the Queen and Prince Andrew, from scandal.
Alternative questions and their responses in English interaction
Authors: Drake Veronika
Published: October 2020

This conversation analytic study investigates the sequential organization and question constraints of alternative
questions in English with a focus on response formats. Building on research on polar and wh-questions (among others, Enfield, Stivers and Levinson 2010; Raymond 2003; Thompson, Fox and Couper-Kuhlen 2015), this article shows that responses to alternative questions that include a
repeat of one of the alternatives are type-conforming, those that do not are nonconforming. Additionally, even though the concept of
contiguity (Sacks 1973/1987) might suggest that the second alternative be confirmed, participants
confirm either alternative unproblematically. Finally, my work shows that alternative questions can create difficulties for action
ascription, because as they are being produced, they often resemble polar questions. My study adds to our understanding of question-answer
sequences in English by providing an overview of an understudied question type in English. The data are in American English.
Metapragmatic comments on relating across cultures
Authors: Kim Kyung Hye , Spencer-Oatey Helen
Published: October 2020

This paper analyses postings made by student applicants on Korean online communities about how best to handle interactions
with potential future PhD supervisors at UK universities. The questions they posed reveal the lack of relevant contextual information they
experienced, especially around the rights and obligations of supervisors. This paper thus analyses students’ metapragmatic comments and
argues for greater attention to be paid within interpersonal and intercultural pragmatics to interactional goals and conceptions of role
relations, especially the rights and obligations associated with them. The analysis has revealed that background information on role
relations is of great importance for relational management and communication planning in high stakes intercultural interaction. This
suggests that potential cultural variation in the perceived rights and obligations associated with a given role (in this case, PhD
supervisor) and their implications for assessments of role relations are of central concern.
Ion-plasma sputtering of Co and Mo nanometer thin films near the sputtering threshold
Authors: Amirov I I , Izyumov M O , Naumov V V , Gorlachev E S
Published: October 2020

In this work, we present results of a study of low-energy (Е
i < 200 eV) sputtering of Co and Mo nanometer thin films in high-density argon plasma of a low-pressure radio-frequency inductive discharge with a controlled incident ion energy and ion current density onto the sample. The average ion energy was determined by the negative self-bias potential, which arises when the RF bias power is applied to the substrate. The ion current density was determined from the ratio of the increments in the RF bias power and the self-bias potential. The sputtering rate was determined in situ by a refractometric method from a sharp change in the intensity of a reflected laser beam signal at the moment of a removal of a metal film. Precise control of sputtering made it possible to detect a formation of nanoscale structures at a stage near the end of sputtering of metal films. The experimentally determined sputtering yields of Co and Mo were in agreement with the results of semiempirical calculations. We demonstrate that for ion-plasma sputtering, removal of Co and Mo atoms occurs at ion energy lower than the sputtering threshold.
Discovering heavy U(1)-gauged Higgs bosons at the HL-LHC
Authors: Camargo Daniel A , Klasen Michael , Zeinstra Sybrand
Published: October 2020

We determine the discovery potential of the Large Hadron Collider (LHC) at 13 TeV center-of-mass energy for a heavy scalar resonance in the dilepton channel. In particular, we consider the singlet-like heavy mass eigenstate of a mixed two Higgs doublet and scalar singlet model in the U(1)
B−L
extension of the standard model. We find that, despite the small coupling of the singlet scalar with the doublets, this heavy scalar can be discovered with 5σ at the LHC with integrated luminosities of ∼300 to 1400 fb−1 in the mass range between 500 GeV and 1 TeV.
A new parton fragmentation procedure for heavy hadron production in proton–proton collisions
Authors: Szczurek Antoni
Published: October 2020

We propose a new procedure for parton-to-hadron fragmentation in proton–proton collisions. The hadronization is considered in the parton-parton center-of-mass (CM) system and hadrons are assumed to be emitted in the direction of outgoing partons in that frame and then their four-momenta are transformed to the overall CM system using relevant Lorentz transformations and appropriate distributions are constructed. For heavy hadron production the energy–momentum condition is imposed. In many cases our procedure disagrees with the commonly used rule that rapidity of produced hadron is the same as rapidity of the parent parton. We illustrate the newly proposed scheme for production of D mesons, Λ
c
baryon and η

c
quarkonium in leading-order approach to parton production. The transverse momentum, rapidity and Feynman-x
F distributions are shown. We consider c → D and g → D as well as c → η

c
and g → η

c
hadronization processes. The resulting x
F distributions are much narrower than those obtained in the traditional approach with parton–hadron rapidity equivalence. This has consequences both for mid- and forward rapidities and could have consequences for high-energy neutrino production in the Earth’s atmosphere. We discuss also

c
→

Λ

c

+

and

b
→

Λ

c

+

fragmentation and find that the second mechanism could be partly responsible for the enhanced production of

Λ

c

±

observed recently by the ALICE collaboration.
New potential stable structures of XMg
n
(X
= Ge, C, Sn; n
= 2–12) clusters: XMg8 with high stability
Authors: Zeng Lu , Liang Mei-Kun , Wei Xiao-Fan , Guo Jia , Dai Wei , Zhu Ben-Chao
Published: October 2020

Several potential stable structures of X-doped magnesium (X = Ge, C, Sn) clusters have been fully investigated by using CALYPSO structure searching software together with density functional theory calculations. XMg
n
(X = Ge, C, Sn; n = 3–7) clusters have similar geometric structure grows in tetrahedron, while the structures of XMg
n
(X = Ge, C, Sn; n = 8–12) are based on a kind of tower-like geometry. Interestingly, the relative stability computations indicate that XMg8 (X = Ge, C, Sn) are more stable than other clusters, and thus can be identified as magic clusters. In addition, XMg8's (X = Ge, C, Sn) high stability and atomic interactions contained in structures are studied through their electronic localization function and molecular orbitals. It is shown that the covalent σ bond interaction of X–Mg and Mg–Mg are mainly responsible for their robust stability. Finally, the theoretical calculations of IR and Raman spectra of XMg8 (X = Ge, C, Sn) clusters were implemented for guiding further experimental observation.
Optimization measurement for the ballscrew raceway profile based on optical measuring system
Authors: Wang Kai , Feng Hu-Tian , Zhou Chang-Guang , Ou Yi
Published: October 2020

Given that the ballscrew raceway profile directly affects the service characteristics and precision retention of ball screws, this paper proposes an optimized continuous measuring method for the ballscrew raceway profile, without the need to adjust the sensor for the measurement of each raceway. Based on a comparison with existing measuring methods and principles, an optical measuring system is constructed, in which installation errors in the LED sensor and the linear calibration system, together with the straightness of the mobile platform, are obtained and analyzed. More importantly, in this work, we propose a transformation algorithm for the helix angle as well as an arc-selecting principle. Compared to the measurment results and time consumption of the profilometer, the maximum error for the measured radius and contact angle of the system proposed in this paper is 1.5 μm and 35′, and the measuring efficiency is increased by 15.8%, 58.6%, and 67.5% for 1, 5, and 20 continuous raceways, respectively, indicating effective performance in terms of accuracy, repeatability, and efficiency. Moreover, the system is also capable of measuring the pitch diameter and lead error of the ballscrew, which is significant in regard to classifying the accuracy of the ballscrew raceway profile, and improving machining precision.
In situ study of sensor behavior of MoS2 field effect transistor for methyl orange molecule in ultra high vacuum condition
Authors: Mamun Muhammad Shamim Al , Waizumi Hiroki , Takaoka Tsuyoshi , Alam Md Iftekharul , Tanaka Yudai , Ando Atsushi , Wang Zhipeng , Komeda Tadahiro
Published: October 2020

We investigate the sensor behavior of the MoS2 field effect transistor (FET) device with the deposition of methyl orange (MO) molecule which is widely used as a chemical probe. The channel of the FET is made of the single layer of MoS2 which makes it highly sensitive to the molecule adsorption, but at the same time the behavior depends much on the surface conditions of the MoS2 channel. In order to make the channel-surface conditions more defined, we prepare an in situ experimental system in which the molecule deposition and the surface- and electrical-characterization of the MoS2 FET are executed in a single ultra-high vacuum chamber. This system makes it possible to examine the change of the FET properties with precise control of the molecule coverage in the sub-monolayer region without the effect of the atmosphere. We detected the shift of the I
d–V
g curve of the MoS2-FET device with the increase of the molecule coverage (θ) of the MO molecule, which is quantitatively analyzed by plotting the threshold voltage (V
th) of the I
d–V
g curve as a function of θ. The V
th shifts towards the negative direction and the initial change with θ can be expressed with an exponential function of θ, which can be accounted for with the Langmuir type adsorption of the molecule for the first layer and the charge transfer from the molecule to the substrate. The V
th versus θ curve shows a kink at a certain θ, which is conserved as the starting of the second layer growth. We detected the adsorption of MO far less than monolayer and the phase change from the first layer to the second layer growth, which is realized by the benefit of the in situ UHV experimental condition.
Computational modelling of modern cancer immunotherapy
Authors: Valentinuzzi Damijan , Jeraj Robert
Published: October 2020

Modern cancer immunotherapy has revolutionised oncology and carries the potential to radically change the approach to cancer treatment. However, numerous questions remain to be answered to understand immunotherapy response better and further improve the benefit for future cancer patients. Computational models are promising tools that can contribute to accelerated immunotherapy research by providing new clues and hypotheses that could be tested in future trials, based on preceding simulations in addition to the empirical rationale. In this topical review, we briefly summarise the history of cancer immunotherapy, including computational modelling of traditional cancer immunotherapy, and comprehensively review computational models of modern cancer immunotherapy, such as immune checkpoint inhibitors (as monotherapy and combination treatment), co-stimulatory agonistic antibodies, bispecific antibodies, and chimeric antigen receptor T cells. The modelling approaches are classified into one of the following categories: data-driven top-down vs mechanistic bottom-up, simplistic vs detailed, continuous vs discrete, and hybrid. Several common modelling approaches are summarised, such as pharmacokinetic/pharmacodynamic models, Lotka–Volterra models, evolutionary game theory models, quantitative systems pharmacology models, spatio-temporal models, agent-based models, and logic-based models. Pros and cons of each modelling approach are critically discussed, particularly with the focus on the potential for successful translation into immuno-oncology research and routine clinical practice. Specific attention is paid to calibration and validation of each model, which is a necessary prerequisite for any successful model, and at the same time, one of the main obstacles. Lastly, we provide guidelines and suggestions for the future development of the field.
Mass production-ready characteristics of AlGaN/AlN/GaN high-electron-mobility transistor structures grown on 200 mm diameter silicon substrates using metal-organic chemical vapor deposition
Authors: Ikejiri Keitaro , Hiroyama Yuichi , Kasahara Kenji , Hirooka Chihiro , Osada Takenori , Tanaka Mitsuhiro , Takada Tomoyuki , Egawa Takashi
Published: October 2020

Mass production-ready technologies of AlGaN/AlN/GaN high-electron-mobility transistor (HEMT) structures on 200 mm diameter silicon substrates are developed using a large-scale metal-organic chemical vapor deposition system. High-yield epitaxial substrates on large-diameter wafers are required for reducing the cost of industrializing power device applications. Through multi-point vertical leakage current measurements, it was confirmed that the AlGaN/AlN/GaN HEMT, under optimum growth conditions, showed high yield characteristics such as a highly uniform leakage current and a low number of breaking points over the entire 200 mm diameter wafer. On introducing an AlN spacer layer between the AlGaN Schottky barrier and the GaN channel, a lower on-state resistance for power devices can be expected. Cross-sectional transmission electron microscopy images revealed that the thin AlN spacer layer was grown between the AlGaN and GaN layers with atomically abrupt and flat interfaces. HEMT structures with an AlN spacer layer exhibited a considerably high two-dimensional-electron-gas mobility of 2000 cm2 V−1 s−1 at room temperature and 10 700 cm2 V−1 s−1 at 77 K. The AlN spacer layer between the AlGaN and GaN layers was successfully fabricated and suppressed the alloy disorder scattering effect.
Stabilized single-longitudinal-mode fiber laser with broadband and flat wavelength output
Authors: Li Guan-Hong , Lin Yuan-Zhe , Chang Hung-Wei , Yeh Chien-Hung , Chen Jhao-Ren , Wang Bo-Yin , Hsu Wei-Hung , Chow Chi-Wai , Liaw Shien-Kuei
Published: October 2020

In this study, we present and experimentally demonstrate an erbium-doped fiber (EDF) quad-fiber-ring (QFR) laser with selectable and flat single-longitudinal-mode (SLM) wavelength output. The designed QFR scheme not only can suppress dense multi-mode oscillation, but also can broaden and flatten the output wavelength covering C- and part of L-bands over a bandwidth from 1519.0 to 1579.0 nm when using a C-band EDF as gain medium. Additionally, the output power, optical signal to signal ratio (OSNR), linewidth, stability and tunability of the proposed EDF laser are also discussed.
Structural and electrical transport properties of Cu-doped Fe1–x
Cu
x
Se single crystals*
Authors: Li He , Ma Ming-Wei , Liu Shao-Bo , Zhou Fang , Dong Xiao-Li
Published: October 2020

We report the structural and electrical transport properties of Fe1–x
Cu
x
Se (x = 0, 0.02, 0.05, 0.10) single crystals grown by a chemical vapor transport method. Substituting Cu for Fe suppresses both the nematicity and superconductivity of FeSe single crystal, and provokes a metal–insulator transition. Our Hall measurements show that the Cu substitution also changes an electron dominance at low temperature of un-doped FeSe to a hole dominance of Cu-doped Fe1–x
Cu
x
Se at x = 0.02 and 0.1, and reduces the sign-change temperature (TR
) of the Hall coefficient (R
H).
Analysis of dark soliton generation in the microcavity with mode-interaction*
Authors: Xu Xin , Jin Xueying , Cheng Jie , Gao Haoran , Lu Yang , Yu Liandong
Published: October 2020

Mode-interaction plays an important role in the dark soliton generation in the microcavity. It is beneficial to the excitation of dark solitons, but also facilitates a variety of dark soliton states. Based on the non-normalized Lugiato–Lefever equation, the evolution of dark soliton in the microcavity with mode-interaction is investigated. By means of mode-interaction, the initial continuous wave (CW) field evolves into a dark soliton gradually, and the spectrum expands from a single mode to a broadband comb. After changing the mode-interaction parameters, the original modes which result in dual circular dark solitons inside the microcavity, are separated from the resonant mode by 2 free spectral ranges (FSR). When the initial field is another feasible pattern of weak white Gaussian noise, the large frequency detuning leads to the amplification of the optical power in the microcavity, and the mode-interaction becomes stronger. Then, multiple dark solitons, which correspond to the spectra with multi-FSR, can be excited by selecting appropriate mode-interaction parameters. In addition, by turning the mode-interaction parameters, the dark soliton number can be regulated, and the comb tooth interval in the spectrum also changes accordingly. Theoretical analysis results are significant for studying the dark soliton in the microcavity with mode-interaction.
Maxwell–Boltzmann statistics of the quantum ideal gas in the canonical ensemble
Authors: Markham Tyler , Ji Jeong-Young , Held Eric D
Published: October 2020

The Maxwell–Boltzmann statistics of the quantum ideal gas is studied through the canonical partition function by exactly counting discrete quantum states without the continuum approximation. Analytic expressions for energy, pressure, entropy, and heat capacity are expressed in terms of Jacobi theta functions and complete elliptic integrals. The results show typical effects of discrete energy levels in the low temperature limit while they reproduce thermodynamics of the classical ideal gas in the high temperature limit.
Neutron capture measurement at the n TOF facility of the 204Tl and 205Tl s-process branching points
Authors: Casanovas A , Tarifeño-Saldivia A E , Domingo-Pardo C , Calviño F , Maugeri E , Guerrero C , Lerendegui-Marco J , Dressler R , Heinitz S , Schumann D , Tain J L , Quesada J M , Aberle O , Alcayne V , Amaducci S , Andrzejewski J , Audouin L , Babiano-Suarez V , Bacak M , Balibrea J , Barbagallo M , Bennett S , Berthoumieux E , Bosnar D , Brown A S , Busso M , Caamaño M , Caballero L , Calviani M , Cano-Ott D , Cerutti F , Chiaveri E , Colonna N , Cortés G P , Cortés-Giraldo M A , Cosentino L , Cristallo S , Damone L A , Davies P J , Diakaki M , Dietz M , Ducasse Q , Dupont E , Durán I , Eleme Z , Fernández-Domíngez B , Ferrari A , Ferro-Gonçalves I , Finocchiaro P , Furman V , Garg R , Gawlik A , Gilardoni S , Göbel K , González-Romero E , Gunsing F , Heyse J , Jenkins D G , Jericha E , Jiri U , Junghans A , Kadi Y , Käppeler F , Kimura A , Knapová I , Kokkoris M , Kopatch Y , Krticka M , Kurtulgil D , Ladarescu I , Lederer-Woods C , Lonsdale S.-J , Macina D , Manna A , Martínez T , Masi A , Massimi C , Mastinu P F , Mastromarco M , Mazzone A , Mendoza E , Mengoni A , Michalopoulou V , Milazzo P M , Millán-Callado M A , Mingrone F , Moreno-Soto J , Musumarra A , Negret A , Ogállar F , Oprea A , Patronis N , Pavlik A , Perkowski J , Petrone C , Piersanti L , Pirovano E , Porras I , Praena J , Ramos Doval D , Reifarth R , Rochman D , Rubbia C , Sabaté-Gilarte M , Saxena A , Schillebeeckx P , Sekhar A , Smith A G , Sosnin N , Sprung P , Stamatopoulos A , Tagliente G , Tassan-Got L , Thomas B , Torres-Sánchez P , Tsinganis A , Urlass S , Valenta S , Vannini G , Variale V , Vaz P , Ventura A , Vescovi D , Vlachoudis V , Vlastou R , Wallner A , Woods P J , Wright T J , Žugec P , Koester U
Published: October 2020

Neutron capture cross sections are one of the fundamental nuclear data in the study of the s (slow) process of nucleosynthesis. More interestingly, the competition between the capture and the decay rates in some unstable nuclei determines the local isotopic abundance pattern. Since decay rates are often sensible to temperature and electron density, the study of the nuclear properties of these nuclei can provide valuable constraints to the physical magnitudes of the nucleosynthesis stellar environment. Here we report on the capture cross section measurement of two thallium isotopes, 204Tl and 205Tl performed by the time-of-flight technique at the n TOF facility at CERN. At some particular stellar s-process environments, the decay of both nuclei is strongly enhanced, and determines decisively the abundance of two s-only isotopes of lead, 204Pb and 205Pb. The latter, as a long-lived radioactive nucleus, has potential use as a chronometer of the last s-process events that contributed to final solar isotopic abundances.
Electron screening in Titanium
Authors: Cvetinović Aleksandra , Lipoglavšek Matej
Published: October 2020

Electron screening is very important in nuclear astrophysics. For nucleosynthesis calculations precise reaction rates should be known at very low energies, where screening cannot be neglected. Despite its importance, a huge disagreement between experimental data and theoretical predictions is still not explained. Recently, we studied the electron screening effect in deuterium implanted titanium targets by measuring the γ-ray yield produced from the 19F(d,p)20F nuclear reaction in inverse kinematics. Our preliminary results are presented below.
Characterizing r-Process Sites through Actinide Production
Authors: Holmbeck Erika M. , Surman Rebecca , Frebel Anna , McLaughlin G. C. , Mumpower Matthew R. , Sprouse Trevor M. , Kawano Toshihiko , Vassh Nicole , Beers Timothy C.
Published: October 2020

Of the variations in the elemental abundance patterns of stars enhanced with r-process elements, the variation in the relative actinide-to-lanthanide ratio is among the most significant. We investigate the source of these actinide differences in order to determine whether these variations are due to natural differences in astrophysical sites, or due to the uncertain nuclear properties that are accessed in r-process sites. We find that variations between relative stellar actinide abundances is most likely astrophysical in nature, owing to how neutron-rich the ejecta from an r-process event may be. Furthermore, if an r-process site is capable of generating variations in the neutron-richness of its ejected material, then only one type of r-process site is needed to explain all levels of observed relative actinide enhancements.