Article
Astronomy & Astrophysics
Hyeong-Chan Kim, Youngone Lee
Summary: In this study, we examine the Tolman temperature using Carter's variational formalism of thermodynamics. We focus on fluids in thermal equilibrium where heat does not propagate, and derive a general formula for the local temperature gradient under this condition. We propose a resolution for the conflict in Tolman temperature when a non-zero chemical potential is present.
Article
Physics, Multidisciplinary
Atanu Chatterjee, Takahiko Ban, Germano Iannacchione
Summary: This study verifies the validity of the local equilibrium hypothesis by conducting a pure thermodynamic study on Rayleigh-Benard convection. The study discovers the emergence of spatially stable hot and cold domains during convection, and these domains exhibit room temperature equilibrium-like statistics locally.
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Yong Wang, Min Kyo Oh, Tae Sung Kim, Andrey Karasev, Wangzhong Mu, Joo Hyun Park, Par G. Jonsson
Summary: The study investigated the influence of commercial low carbon ferrochromium (LCFeCr) additions on the inclusion characteristics in Ti-containing ferritic stainless steel. It was found that the addition of FeCr alloys led to a decrease in titanium content and the transformation of MnCr2O4 spinel inclusions into Ti2O3-Cr2O3-based liquid and solid inclusions.
METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
M. Soledade C. S. Santos, Joao Carlos R. Reis
Summary: The study revisits the classical Butler equation used to describe surface tension and composition of liquid mixtures, uncovering an approximation not recognized by other researchers and proposing a more rigorous equation. The results show that the Butler equation slightly overestimates ideal surface tensions and slightly overestimates surface-phase concentrations of the surface-active component in dilute ranges and underestimates them at higher concentrations. Despite this, Butler's model is considered a good standard due to its versatility.
Article
Multidisciplinary Sciences
Francois Gay-Balmaz, Hiroaki Yoshimura
Summary: This paper presents a systematic approach to modelling in non-equilibrium thermodynamics by introducing the notion of interconnections and extending the variational principle in mechanics. It demonstrates how a non-equilibrium thermodynamic system can be seen as an interconnected system of primitive physical elements or subsystems. This approach offers a promising direction for developing a unified description in various scientific areas.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
(2023)
Article
Engineering, Multidisciplinary
R. Kovacs, P. Rogolino, D. Jou
Summary: This paper discusses the frameworks of Extended Irreversible Thermodynamics (EIT) and Non-Equilibrium Thermodynamics with Internal Variables (NET-IV), comparing them based on a specific problem of rarefied gases. Both theoretical and experimental aspects are taken into account, with NET-IV and EIT shown to be more flexible than Rational Extended Thermodynamics (RET) regarding the functional form of transport coefficients, providing advantages in certain ranges of gas density values.
INTERNATIONAL JOURNAL OF ENGINEERING SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
Yue Ma, Shangqi Ge, He Yang, Xiaohui Chen
Summary: This paper proposes a new non-equilibrium thermodynamics approach to model multiphysics coupling processes with reactive dissolution, aiming to overcome the potential issues of the Clausius-Duhem Inequality in modeling reactive systems. The effectiveness of the proposed method is demonstrated through numerical simulations.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
(2022)
Article
Physics, Multidisciplinary
Sreekanth K. Manikandan, Subhrokoli Ghosh, Avijit Kundu, Biswajit Das, Vipin Agrawal, Dhrubaditya Mitra, Ayan Banerjee, Supriya Krishnamurthy
Summary: The paper proposes a minimal strategy using the short-time Thermodynamic Uncertainty Relation (TUR) to infer the thermodynamic force field and entropy production rate from experimental short-time trajectory data. The authors successfully benchmarked this scheme in experimental particle systems and hydrodynamic flow fields, demonstrating its effectiveness in estimating entropy production rate.
COMMUNICATIONS PHYSICS
(2021)
Article
Polymer Science
Jian Li, Zhihong Liang, Kaijuan Chen, Xu Zhang, Guozheng Kang, Qianhua Kan
Summary: Experimental investigations on the mechanical deformations of thermo-induced shape memory polymers at different strain rates reveal the influence of loading history conditions on the glass transition temperature and shape memory effect. Temperature hysteresis is observed in stress freezing and strain recovery stages due to varied temperature rate. A logarithmic rate-based viscoelastic-viscoplastic model is established to simulate the rate-dependent mechanical deformation and shape memory effect, which is validated by comparing with experimental results.
Article
Astronomy & Astrophysics
Llorenc Espinosa-Portales, Juan Garcia-Bellido
Summary: In this study, a generally-covariant formulation of non-equilibrium thermodynamics in General Relativity was developed, discussing entropic forces, non-conservation of energy momentum tensor, and mechanisms to prevent collapse of fluids. Forces from internal production of bulk entropy and entropy gradients in boundary terms were also explored, leading to modified Friedmann equations for the expanding universe with an additional term representing an entropic force compliant with the second law of thermodynamics.
PHYSICS OF THE DARK UNIVERSE
(2021)
Article
Biochemistry & Molecular Biology
Miloslav Pekar
Summary: Autocatalytic reactions, in contrast to traditional mass-action kinetics, can be verified and generalized using modern non-equilibrium thermodynamics, ensuring consistency with the entropic inequality.
Review
Biochemistry & Molecular Biology
Yves Lecarpentier, Victor Claes, Jean-Louis Hebert, Olivier Schussler, Alexandre Vallee
Summary: Myofibroblasts are contractile cells found in various tissues with different regulation mechanisms for contraction and relaxation. Compared to muscles, myofibroblasts have lower shortening velocity and developed tension, but the molecular motor non-muscle myosin type IIA (NMIIA) develops a force similar to muscle myosins.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Engineering, Mechanical
Rolf Mahnken, Hendrik Westermann
Summary: The microstructure evolution of steels due to thermomechanical processing significantly influences their macroscopic properties, including viscoplastic deformation and re crystallization. Researchers have proposed modifications to a constitutive model for re crystallization to account for time-varying recrystallized volume fractions, and have developed a numerical algorithm for simulating the model.
INTERNATIONAL JOURNAL OF PLASTICITY
(2021)
Article
Physics, Multidisciplinary
Ying Tang
Summary: The study shows that in driven quantum systems, the free energy change can be amplified by adding a magnetic field, and this quantum effect is reflected in an extended free energy equality, supporting the extraction of additional free energy from the magnetic field.
COMMUNICATIONS PHYSICS
(2021)
Review
Physics, Multidisciplinary
David Jou, Liliana Restuccia
Summary: In this review, the authors discuss a nonequilibrium thermodynamic theory for heat transport in superlattices, graded systems, and thermal metamaterials with defects. They aim to provide researchers in nonequilibrium thermodynamics and material scientists with a framework to consider several nonequilibrium questions about current developments in heat transport and techniques for achieving them. They also suggest new applications in the case of mobile defects.
Article
Chemistry, Multidisciplinary
Jianfei Sui, Hang Liu, Shaojin Hu, Kang Sun, Gang Wan, Hua Zhou, Xiao Zheng, Hai-Long Jiang
Summary: The development of a universal synthetic protocol immobilizing single-atom catalysts (SACs) in metal-organic frameworks (MOFs) has been achieved. This approach allows for the installation of different single-atom metal sites and changing of MOF supports to enhance catalytic activity. Specifically, the Pt-1/SnO2/MOF exhibited significantly higher activity for photocatalytic hydrogen production compared to Pt nanoparticles stabilized by SnO2/UiO-66-NH2.
ADVANCED MATERIALS
(2022)
Article
Physics, Multidisciplinary
YongXi Cheng, ZhenHua Li, Xiao Zheng, JianHua Wei, Hong-Gang Luo, Hai-Qing Lin, YiJing Yan
Summary: The Kondo effect associated with the magnetic field in parallel-coupled double quantum dots is investigated using the hierarchical-equation-of-motion approach. It is found that a zero-energy resonance peak appears at a specific magnetic field, indicating the presence of a spin-1/2 Kondo resonance.
ANNALEN DER PHYSIK
(2022)
Article
Chemistry, Physical
JingChun Wang, DaDi Zhang, Rui-Xue Xu, ChiYung Yam, GuanHua Chen, Xiao Zheng
Summary: In the past decade, there has been a growing interest in designing sophisticated density functional approximations (DFAs) by integrating machine learning techniques. This study presents a machine learning correction to the widely used Perdew-Burke-Ernzerhof (PBE) functional, which improves heats of formation while maintaining accuracy for other properties. The research highlights the potential of combining data-driven machine learning methods with physics-inspired derivations for achieving chemical accuracy.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Chemistry, Multidisciplinary
Zhi-Zheng Wu, Xiao-Long Zhang, Zhuang-Zhuang Niu, Fei-Yue Gao, Peng-Peng Yang, Li-Ping Chi, Lei Shi, Wen-Sen Wei, Ren Liu, Zhi Chen, Shaojin Hu, Xiao Zheng, Min-Rui Gao
Summary: The study demonstrates that oxide-derived copper crystals enclosed by Cu(100)/Cu(111) interfaces can efficiently reduce CO2 to multicarbon products with high Faradaic efficiency. Combining experimental and computational studies reveals that these interfaces have a favorable local electronic structure that enhances catalytic activity.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Review
Physics, Atomic, Molecular & Chemical
Xiongzhi Zeng, Wei Hu, Xiao Zheng, Jin Zhao, Zhenyu Li, Jinlong Yang
Summary: Computational simulation plays a crucial role in accurately characterizing the structure and properties of nanosystems. Various methods, such as electronic structure calculations, scanning tunneling microscopy image simulation, hierarchical equation solving, and excited state dynamics simulation, have been developed to provide electronic structure information and experimentally comparable data. Additionally, multiscale simulation methods are essential for characterizing the atomic details of nanosystems involved in chemical processes.
CHINESE JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Zi-Hao Chen, Yao Wang, Xiao Zheng, Rui-Xue Xu, YiJing Yan
Summary: This Communication proposes a new time-domain Prony fitting decomposition (t-PFD) as an accurate and efficient exponential series method for arbitrary bath correlation functions, significantly optimizing the numerical efficiency of hierarchical equations of motion (HEOM) formalism, particularly in low temperature regimes. The t-PFD is calibrated against the Pade spectrum decomposition method, and applied to the single-impurity Anderson model system for converged HEOM evaluations. Published by AIP Publishing under exclusive license.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Qingfeng Zhuang, Xiaoli Wang, Lyuzhou Ye, YiJing Yan, Xiao Zheng
Summary: The spin-polarized scanning tunneling microscope is a versatile tool for probing and manipulating the spintronic properties of atomic and molecular devices with high precision. In this study, a first-principles-based simulation of the control of a Ni-tip/Co/Cu(100) junction was achieved, and a cotunneling mechanism was proposed to explain the physical origin of the observed unconventional Kondo signatures.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Physics, Condensed Matter
ZhenHua Li, YongXi Cheng, Xiao Zheng, JianHua Wei, YiJing Yan, Hong-Gang Luo
Summary: In this study, we numerically calculate the local density of states (LDOS) in the asymmetric Anderson model in the mixed valence regime using the hierarchical equations of motion approach. By performing a fitting, we obtain the Kondo temperatures and Fano factors with changing the single particle energy. Our study shows that the Fano-Kondo resonance can reasonably explain the asymmetric line shape of the LDOS around the Fermi level.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Chemistry, Multidisciplinary
Yan-Ru Wang, Qingfeng Zhuang, Rui Cao, Yi Li, Fei-Yue Gao, Zhao-Rui Li, Zhen He, Lei Shi, Yu-Feng Meng, Xu Li, Jin-Long Wang, Yu Duan, Min-Rui Gao, Xiao Zheng, Shu-Hong Yu
Summary: Picturing the atomic migration pathways of catalysts is crucial for understanding catalytic mechanisms and designing high-performance catalysts. This study describes a reduction-controlled atomic migration pathway that converts nanoparticles into single atom alloys (SAAs), achieved by treating noble-metal nanoparticles on metal oxide supports with H2/Ar. The observed conversion is the result of noble metal-promoted H2 dissociation and concomitant CuO reduction, providing insights into the dynamic mechanisms of nanomaterial formation and catalyst design.
Article
Physics, Applied
Riccardo Tomasello, Roman Verba, Victor Lopez-Dominguez, Francesca Garesci, Mario Carpentieri, Massimiliano Di Ventra, Pedram Khalili Amiri, Giovanni Finocchio
Summary: We theoretically demonstrate that voltage-controlled magnetic anisotropy (VCMA) can excite linear and parametric resonant modes in easy-axis antiferromagnets (AFMs), and it is more efficient than other methods. This has important implications for the efficient electrical control of the Neel vector and the detection of high-frequency dynamics.
PHYSICAL REVIEW APPLIED
(2022)
Article
Nanoscience & Nanotechnology
Yuriy V. Pershin, Jinsun Kim, Timir Datta, Massimiliano Di Ventra
Summary: This study validates a recent test method and applies it to a device claimed to be a memristor. The results demonstrate that the device is actually an inductor with memory, not a memristor. This finding raises doubts about the existence and easy creation of ideal memristors.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
(2022)
Article
Chemistry, Physical
Xu Ding, Daochi Zhang, Lyuzhou Ye, Xiao Zheng, YiJing Yan
Summary: In this study, we investigate the stationary-state and dynamic properties of Kondo-correlated quantum impurity systems. We find that the strength of Kondo correlation induced by the system-environment entanglement determines the converged hierarchical truncation tier of the HEOM method. This provides useful guidelines for the investigation of many-body open quantum systems.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Daochi Zhang, Lijun Zuo, Lyuzhou Ye, Zi-Hao Chen, Yao Wang, Rui-Xue Xu, Xiao Zheng, YiJing Yan
Summary: Recent technological advancements in scanning tunneling microscopes have enabled the precise measurement of spin-field and spin-spin interactions in single atomic or molecular junctions. In this study, several new algorithms were proposed to enhance the performance of the hierarchical equations of motion (HEOM) method, allowing for accurate characterization of the Kondo effect and spin excitations. This theoretical tool is valuable for understanding and predicting fascinating quantum phenomena explored in cutting-edge experiments.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Proceedings Paper
Engineering, Electrical & Electronic
Massimiliano Di Ventra
Summary: Quantum computing utilizes quantum phenomena for information processing and is considered the future of computing, but faces challenges in practical realization. MemComputing, on the other hand, employs non-quantum dynamical systems and time non-locality for computation, making it efficient to emulate in software and easier to transition to hardware.
2022 IEEE 22ND INTERNATIONAL CONFERENCE ON NANOTECHNOLOGY (NANO)
(2022)
Article
Optics
Yuan -Hang Zhang, Massimiliano Di Ventra
Summary: This study proposes a training method that utilizes the modes of the neural network distribution to provide global information, significantly improving the quality of reconstructed quantum states. This method is applicable to other types of neural networks and has the potential to efficiently tackle previously unmanageable problems.
Review
Physics, Multidisciplinary
Sebastian Mizera
Summary: This article discusses the mathematical properties and physical implications of scattering amplitudes, and traces these properties back to physics through simple scattering problems.
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS
(2024)