bluuebunny/crossref_metadata_2025_split huggingface dataset:
High-pressure phase behaviors of titanium dioxide revealed by a Δ-learning potential
Authors: Lee Jacob G. , Pickard Chris J. , Cheng Bingqing 
Published: January 2022

Titanium dioxide has been extensively studied in the rutile or anatase phase, while its high-pressure phases are less well-understood, despite that many are thought to have interesting optical, mechanical, and electrochemical properties. First-principles methods, such as density functional theory (DFT), are often used to compute the enthalpies of TiO2 phases at 0 K, but they are expensive and, thus, impractical for long time scale and large system-size simulations at finite temperatures. On the other hand, cheap empirical potentials fail to capture the relative stabilities of various polymorphs. To model the thermodynamic behaviors of ambient and high-pressure phases of TiO2, we design an empirical model as a baseline and then train a machine learning potential based on the difference between the DFT data and the empirical model. This so-called Δ-learning potential contains long-range electrostatic interactions and predicts the 0 K enthalpies of stable TiO2 phases that are in good agreement with DFT. We construct a pressure–temperature phase diagram of TiO2 in the range 0 &lt; P &lt; 70 GPa and 100 &lt; T &lt; 1500 K. We then simulate dynamic phase transition processes by compressing anatase at different temperatures. At 300 K, we predominantly observe an anatase-to-baddeleyite transformation at about 20 GPa via a martensitic two-step mechanism with a highly ordered and collective atomic motion. At 2000 K, anatase can transform into cotunnite around 45–55 GPa in a thermally activated and probabilistic manner, accompanied by diffusive movement of oxygen atoms. The pressures computed for these transitions show good agreement with experiments. Our results shed light on how to synthesize and stabilize high-pressure TiO2 phases, and our method is generally applicable to other functional materials with multiple polymorphs.
Improving micronutrient density in basmati rice and durum wheat through summer green manuring and elemental sulfur fertilisation
Authors: Mandi Sunil , Shivay Yashbir Singh , Prasanna Radha , Kumar Dinesh , Purakayastha Tapan Jyoti , Pooniya Vijay , Nayak Somanath , Raihan Obaidullah , Baral Kirttiranjan , Pal Madan 
Published: January 2022

Rice–wheat cropping systems feed millions of people in South and East Asia. However, cereal-based foods are inherently deficient in micronutrients. A strategy involving green manuring and elemental sulfur (S) fertilisation is an innovative approach for biofortification by enhancing bioavailability of micronutrients. We conducted an experiment with a basmati rice (Oryza sativa L.)–durum wheat (Triticum durum Desf.) cropping system that comprised main plot treatments of two green manure crops, Sesbania aculeata Pers. (prickly sesban) and Crotalaria juncea L. (sunhemp), and a fallow. Sulfur as bentonite-S (90% S) was applied in subplot treatments of 20 or 40 kg S ha−1 to rice, 20 or 40 kg S ha−1 to wheat, and 20 or 40 kg S ha−1 to both rice and wheat, with a control (no S fertilisation). There were three replications in a split-plot design. Results showed that micronutrient concentrations and their uptake were in the order iron (Fe) > manganese (Mn) > zinc (Zn) > copper (Cu) in both grains and straw of basmati rice and durum wheat. Compared with fallow, sunhemp green manuring increased Zn and Mn by 11%, Fe by 18% and Cu by 17% in basmati rice grain, and Zn by 21%, Mn by 8%, Fe by 12% and Cu by 8% in durum wheat grain. Compared with the no-S control, fertilisation at 40 kg S ha−1 to both rice and wheat increased Zn by 30%, Fe by 33%, Cu by 23% and Mn by 24% in basmati rice grain, as well as rice grain yield by 10%. The same treatment increased Zn by 42%, Fe by 27%, Cu by 9% and Mn by 18% in durum wheat grain, as well as wheat grain yield by 26%. Thus, green manuring and addition of 40 kg S ha−1 to both rotation crops is an effective strategy to ensure biofortification.
A prototype protein nanocage minimized from carboxysomes with gated oxygen permeability
Authors: Gao Ruimin , Tan Huan , Li Shanshan , Ma Shaojie , Tang Yufu , Zhang Kaiming , Zhang Zhiping , Fan Quli , Yang Jun , Zhang Xian-En , Li Feng 
Published: January 2022

Significance
Design of nanostructured protein materials is a big challenge due to structural complexity. Even more challenging is the design of protein nanomaterials endowed with specific properties and functions. Here, we report a prototype oxygen-impermeable protein nanocage assembled from the pentameric vertex protein of β-carboxysomes, CcmL, through nanoparticle templating. We solved the structure of the cage at the atomic scale by integrating solid-state NMR spectroscopy and cryoelectron microscopy and designed a molecular patch to the pores of the cage based on the structure, establishing a gating mechanism for reversible control of the oxygen permeability. The CcmL cage can serve as a protein nanoplatform for oxygen-sensitive or -responsive storage, catalysis, delivery, sensing, etc.
Production and diffusion of H2O2 during the interaction of a direct current pulsed atmospheric pressure plasma jet on a hydrogel
Authors: Suresh Manikandan , Kondeti V S Santosh K , Bruggeman Peter J 
Published: January 2022

Abstract
The interaction of cold atmospheric pressure plasma jets with hydrogels has been used as a model system to study the interaction of plasmas with tissues. In this study, we analyze the diffusion of reactive oxygen species (in particular H2O2) and quantify the amount of plasma-produced H2O2 species that penetrates into a gelatin hydrogel. We show that the diffusion constant of H2O2 in 10% gelatin hydrogel is similar to its diffusion constant in water and that the production of H2O2 in the hydrogel is significantly less than the production of H2O2 in distilled water for the same plasma operation conditions suggesting that the scavenging of OH radicals at the plasma-gel interface significantly reduces the H2O2 production.
Hadron–quark crossover and hybrid stars with quark core
Authors: Li Bo-Lin , Yan Yan , Ping Jia-Lun 
Published: January 2022

Abstract
We construct a new set of hybrid equations of state (EOSs) with a smooth hadron–quark crossover transition from hadronic matter at low densities to strange quark matter at high densities. The hadronic EOS NL3ωρ is obtained by the relativistic mean field theory, while the strange quark matter EOS is calculated by a quasiparticle model that incorporates the nonperturbative features of quantum chromodynamics. In the transition region, we use a polynomial function to interpolate the pressure as a function of the chemical potential. Most of these hybrid EOSs satisfy the mass constraint of M
TOV > 2M
⊙ and the tidal deformability constraint of Λ1.4 < 800 from GW170817. We find that the presence of strange quark matter at high densities makes the EOS softer. The maximum masses and corresponding radii for the hybrid EOSs are smaller than that for the hadronic EOS NL3ωρ. For a fixed gravitational mass of 1.4M
⊙, the central baryonic number densities for the hybrid EOSs are larger than that for the hadronic EOS, and the radii for the hybrid EOSs are smaller than that for the hadronic EOS. This means that the hybrid stars are more compact than the neutron star, and will have smaller tidal deformabilities than that for the neutron star. The radii for hybrid stars are also consistent with the Neutron star Interior Composition Explorer (NICER) analysis of PSR J0030 + 0451 (

M
=
1.4

4

−
0.14

+
0.15

M

⊙

,

R
=
13.0

2

−
1.06

+
1.24

km) and PSR J0740 + 6620 (M = 2.08 ± 0.07M
⊙, R = 12.35 ± 0.75 km). And the central baryonic number densities for the hybrid EOSs suggest that in the center of the hybrid stars there exists quark–hadron mixed state instead of pure strange quark matter.
An approach for identifying corrosion damage from acoustic emission signals using ensemble empirical mode decomposition and linear discriminant analysis
Authors: Chai Mengyu , Gao Zheyu , Li Yongquan , Zhang Zaoxiao , Duan Quan , Chen Ruan 
Published: January 2022

Abstract
Mechanical structures, such as pressure vessels and pipes, need careful inspection and monitoring to avoid serious corrosion failure. Detecting and identifying corrosion damage from acoustic emission (AE) signals is of significant importance for the safety and reliability of engineering structures in structural health monitoring. The identification accuracy largely depends on how well the damage features are being used. This paper presents a new approach for extracting effective damage features and accurately identifying different damage from AE signals during corrosion monitoring. Specifically, the proposed approach combines ensemble empirical mode decomposition and linear discriminant analysis to analyze the AE signals generated from an intergranular corrosion process. The results show that three damage modes, including environmental noise, intergranular corrosion, and the formation and propagation of cracks can be successfully detected and identified from complicated AE waveforms. The proposed approach is capable of providing reliable, direct and visualized corrosion damage detection and identification in structural health monitoring. Results from this study will guide complementary efforts aimed at detecting and identifying different damage from AE signals, and providing supporting knowledge regarding the industrial application of AE monitoring.
Novel preparation of attapulgite-reduced graphene oxide hydrogel composite and its application in flexible solid-state supercapacitors
Authors: Huang Xiaohui , Wu Wei 
Published: January 2022

Abstract
After graphite oxide assisted the liquid phase shear exfoliation of attapulgite, the good dissociation and dispersion of attapulgite rod crystals are realized. Due to the spatial hindrance effect of attapulgite, which prevents the stacking of RGO sheets, the attapulgite-reduced graphene oxide three-dimensional porous hydrogel with abundant pore structure enables rapid transfer of electrolyte ions and exhibits good electrochemical performance and rate performance. The assembled flexible solid-state supercapacitor has a high operating voltage window and good flexibility and cycle stability. At a current density of 0.1 mA cm−2, it has an area specific capacitance of 127.33 mF cm−2. A series of solid-state supercapacitors can be used as the power supply for LED lights.
Extended electron tails in electrostatic microinstabilities and the nonadiabatic response of passing electrons
Authors: Hardman M R , Parra F I , Chong C , Adkins T , Anastopoulos-Tzanis M S , Barnes M , Dickinson D , Parisi J F , Wilson H 
Published: January 2022

Abstract
Ion-gyroradius-scale microinstabilities typically have a frequency comparable to the ion transit frequency. Due to the small electron-to-ion mass ratio and the large electron transit frequency, it is conventionally assumed that passing electrons respond adiabatically in ion-gyroradius-scale modes. However, in gyrokinetic simulations of ion-gyroradius-scale modes in axisymmetric toroidal magnetic fields, the nonadiabatic response of passing electrons can drive the mode, and generate fluctuations in narrow radial layers, which may have consequences for turbulent transport in a variety of circumstances. In flux tube simulations, in the ballooning representation, these instabilities reveal themselves as modes with extended tails. The small electron-to-ion mass ratio limit of linear gyrokinetics for electrostatic instabilities is presented, in axisymmetric toroidal magnetic geometry, including the nonadiabatic response of passing electrons and associated narrow radial layers. This theory reveals the existence of ion-gyroradius-scale modes driven solely by the nonadiabatic passing electron response, and recovers the usual ion-gyroradius-scale modes driven by the response of ions and trapped electrons, where the nonadiabatic response of passing electrons is small. The collisionless and collisional limits of the theory are considered, demonstrating parallels in structure and physical processes to neoclassical transport theory. By examining initial-value simulations of the fastest-growing eigenmodes, the predictions for mass-ratio scaling are tested and verified numerically for a range of collision frequencies. Insight from the small electron-to-ion mass ratio theory may lead to a computationally efficient treatment of extended modes.
Thermodynamics of trapped photon gases at dimensional crossover from 2D to 1D
Authors: Stein Enrico , Pelster Axel 
Published: January 2022

Abstract
Photon Bose–Einstein condensates are characterised by a quite weak interaction, so they behave nearly as an ideal Bose gas. Moreover, since the current experiments are conducted in a microcavity, the longitudinal motion is frozen out and the photon gas represents effectively a two-dimensional trapped gas of massive bosons. In this paper we focus on a harmonically confined ideal Bose gas in two dimensions, where the anisotropy of the confinement allows for a dimensional crossover. If the confinement in one direction is strong enough so that this squeezed direction is frozen out, then only one degree of freedom survives and the system can be considered to be quasi-one dimensional. In view of an experimental set-up we work out analytically the thermodynamic properties for such a system with a finite number of photons. In particular, we focus on examining the dimensional information which is contained in the respective thermodynamic quantities.
Effects of quantum pair creation and annihilation on a classical exclusion process: the transverse XY model with TASEP
Authors: Kavanagh K , Dooley S , Slingerland J K , Kells G 
Published: January 2022

Abstract
We investigate how particle pair creation and annihilation, within the quantum transverse XY model, affects the non-equilibrium steady state (NESS) and Liouvillian gap of the stochastic totally asymmetric exclusion process. By utilising operator quantization we formulate a perturbative description of the NESS. Furthermore, we estimate the Liouvillian gap by exploiting a Majorana canonical basis as the basis of super-operators. In this manner we show that the Liouvillian gap can remain finite in the thermodynamic limit provided the XY model anisotropy parameter remains non-zero. Additionally, we show that the character of the gap with respect to the anisotropy parameter differs depending on the phase of the XY model. The change of character corresponds to the quantum phase transition of the XY model.
Experimental observation of topological phase transitions in a mechanical 1D-SSH model
Authors: Thatcher Luke , Fairfield Parker , Merlo-Ramírez Lázaro , Merlo Juan M 
Published: January 2022

Abstract
In this work, we report the experimental observation of the topological phase transition in a mechanical one-dimensional topological insulator using the Su-Schrieffer-Heeger (SSH) model. Our mechanical system was composed of an elastic string with metallic masses emulating atomic sites and the intra- and inter-cell interaction strengths controlled by the distances, d
1 and d
2 respectively, between the masses. We observed a trivial phase with a band gap of ∼9.2 Hz ± 0.5 Hz for d
2/d
1 = 3, while the metallic phase closed the gap, d
1 = d
2, to be reopened in the topological phase as ∼8.7 Hz ± 0.5 Hz, for d
2/d
1 = 1/3, with two edge states located inside the band gap at ∼15.6 Hz ± 0.5 Hz. Our experimental observations were supported with numerical and theoretical models. Our work creates the ability to study topological phase transitions in mechanical systems with materials available in any research lab and allows an understanding of phase transitions in a visual way.
Pure annihilation decay of strange beauty meson into two charm heavy mesons
Authors: Mohammadi Behnam 
Published: January 2022

Abstract
In this study, the heavy to heavy decay of

is evaluated through the factorization approach by using the final state interaction as an effective correction. Under the factorization approach, this decay mode occurs only through the annihilation process, so a small amount is produced. Feynman's rules state that six meson pairs can be assumed for the intermediate states before the final meson pairs are produced. By taking into account the effects of twelve final state interaction diagrams in the calculations, a significant correction is obtained. These effects correct the value of the branching ratio obtained by the pure factorization approach from

to

. The value obtained for the branching ratio of the

decay is consistent with the experimental results.
Suitability of 3D printing materials for printing anthropomorphic phantoms: A simulation study
Authors: Dukov Nikolay , Encheva Elica , Bliznakova Kristina 
Published: January 2022

Abstract
The use of anthropomorphic phantoms finds an increased application in the last years. From their use in virtual studies to assessment of new imaging technologies and reconstruction algorithms. The current study proposes a resource saving approach, in terms of time and money for assessing the creation of an anthropomorphic model by means of 3D printing. A four component object consisting of segmentations of adipose, gland, skin and lesion tissues was created from an MRI image set. From the resulting object two computational breast models were created – one with the elemental composition of the real breast tissues and a second one with the elemental composition of the low cost 3D printing materials planned to be used for the phantom manufacturing. Then, an in-house developed software was used to generate mammography images, which were subjected to both visual assessment and profile comparison. In this study we used nylon and acrylonitrile butadiene styrene 3D printing materials to represent the x-ray properties of the different breast tissues. The results showed that these 3D materials well represent the x-ray absorption characteristics of both glandular, adipose and skin tissues, while further investigation on suitable materials for representing the lesion characteristics is needed.
Conception and analysis of Cascaded Dual Kalman Filters as virtual sensors for mastication activity of stomatognathic craniomandibular system
Authors: Carlotta Bogena , Hovsepyan Sirarpi , Mercorelli Paolo 
Published: January 2022

Abstract
The presented work shows a possible methodical approach for parameter estimation of a kinematic and dynamic element that characterizes a human mandibular system during the mastication process using position measurement only. The considered parameters are the velocity, friction coefficient, and the mass of the moving part of the mandibular during the mastication activity of a human. Internal or optical motion sensors can still allow imprecision in the measurements. To overcome these, in the present work a system identification algorithm is designed using a combination of three backward cascaded Kalman Filter, which consists of three Extended Kalman Filters. The identification procedure is validated through a matching criterion based on the estimation of the mass, which is assumed to be known in the first stage of the Kalman Filter structure. Three EKFs are tuned as long as the initial value of the mandibular mass is achieved as an estimation of the third one. This is due to the fact that the optimization procedure tries to optimize a non-convex optimization problem that can admit more than one solution. The main contribution of this project is designing state estimation dynamic system, which accurately estimates friction with a linear time varying model. Friction coefficient plays an important role in the early diagnosis of temporomandibular joints disorders, since it is very low under normal condition, and an increase may be associated with abnormalities. Computer simulations show the effectiveness of the proposed method to accurately estimate friction dynamics and refrain from complex nonlinearities.
A Physical ground for the scaling of Peak Ground Acceleration (PGA) with the integral of squared velocity ( I2
Vp and its potential for Earthquake Early Warning
Authors: Vallianatos F , Spingos I 
Published: January 2022

Abstract
One of the main goals of an Earthquake Early Warning System (EEWS) is to estimate the expected peak ground motion of the destructive S-waves using the first few seconds of P-waves, thus becoming an operational tool for real-time seismic risk management in a short timescale. EEWSs are based on the use of scaling relations between parameters measured on the initial portion of the seismic signal, after the arrival of the P-wave. Scope of the present work is to study the physical basis of the scaling laws observed between the peak ground acceleration (PGA) and the integral of the squared velocity ( I2
vp ). Based on Brune’s model, which is one of the most widely adopted earthquake source models, we explore the physical principles of the scaling relations between the root mean square (rms) of the velocity acceleration recorded in the first few seconds after P-wave arrival and acceleration (recorded in S-waves) and the II2
vp . Assuming a relation between the PGA and the rms values estimated, the scaling of PGA with the integral of the squared velocity (I2
vp ) which is calculated directly from the first few seconds-long signal window (T) after the P-wave arrival obtained. The latter formulation opens the possibility of using such laws for on-site and inter-site earthquake early warning.
Layered transition metal chalcogenophosphate towards air-stable visible light photodetection
Authors: Li Changcun , Yin Huidong , Liang Lei , Jia Qiang , Liu Qing , Liu Fucai 
Published: January 2022

Abstract
Two-dimensional (2D) multiple-element layered transition metal chalcogenophosphates (TMCPs) have received tremendous attention due to their excellent carrier mobility, and absorption coefficient, displaying great potential for optoelectronic applications. Here, the novel high-quality manganese nickel phosphorous sulfur (Mn0.24Ni0.76PS3) crystals are obtained by using chemical vapor transport (CVT) method. Further, thin flakes of Mn0.24Ni0.76PS3 are achieved and employed to prepare photodetectors. Impressively, the prepared photodetectors exhibit excellent photo-response in visible light region, such as on/off ratio, and response time, a responsivity up to 10.4 mA W−1 and a detectivity of 1.31 × 108 Jones, demonstrating great potential for future air-stable visible light photodetection.
Study on low flow resistance ventilation hose with rapid retraction in space cabin
Authors: Zhao Jian , Ren Yafei , Li Yuanyuan , E Jiming , Xie Wen , Li Zheng 
Published: January 2022

Abstract
Aiming at the required of high air tightness, low flow resistance, rapid expansion, easy operation on orbit and hygiene in the space cabin, a low flow resistance ventilation hose which can be retracted quickly in the cabin is proposed. The ventilation hose is composed of metal support ring, air tight composite material, quick connection connector and clamp. After sewing the adhesive tape into a cylindrical tube, it is hot-melt welded with the titanium ring. The pipe body and the quick connection joint are connected and fixed by clamps. After structural design and test verification, a hose with an extension length of 10 meters can shrink to 0.42 meters. the air tightness is 0.96 L/min and the flow resistance is 120Pa. The ventilation hose has the advantages of reliable technology, compact structure, light weight and convenient use in orbit. It provides a new technical way and equipment for the ventilation system in manned spacecraft.
Simulation Study on Flow Rate Regulation of Pasty Propellant in Lateral Extrusion Pipe
Authors: Guo Lei , Zhang Jian-bin , Bai Jian-qiang , Li Peng-yong , Liu Ke , Cheng Dong 
Published: January 2022

Abstract
The resistance structure was introduced to design a new paste propellant lateral extrusion supply channel, and a Python script-controlled solution process based on CFD software was established to achieve the optimization design and optimization goals of the resistance structure.