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Dynamic mode decomposition of nonequilibrium electron-phonon dynamics:accelerating the firstprinciples real-time Boltzmann equation

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npj Computational Materials 2024年第1期10卷 1970-1977页

作者： Ivan Maliyov Jia Yin Jia Yao Chao Yang Marco Bernardi Department of Applied Physics and Materials Science California Institute of TechnologyPasadenaCA 91125USA Applied Mathematics and Computational Research Division Lawrence Berkeley National LaboratoryBerkeleyCA 94720USA Department of Physics California Institute of TechnologyPasadenaCA 91125USA

Nonequilibrium dynamics governed by electron–phonon(e-ph)interactions plays a key role in electronic devices and spectroscopies and is central to understanding electronic excitations in *** real-time Boltzmann transport equation(rt-BTE)with collision processes computed from first principles can describe the coupled dynamics of electrons and atomic vibrations(phonons).Yet,a bottleneck of these simulations is the calculation of e–ph scattering integrals on dense momentum grids at each time *** we show a data-driven approach based on dynamic mode decomposition(DMD)that can accelerate the time propagation of the rt-BTE and identify dominant electronic *** apply this approach to two case studies,high-field charge transport and ultrafast excited electron *** both cases,simulating only a short time window of~10%of the dynamics suffices to predict the dynamics from initial excitation to steady state using DMD *** of the momentum-space modes extracted from DMD sheds light on the microscopic mechanisms governing electron relaxation to a steady state or *** combination of accuracy and efficiency makes our DMD-based method a valuable tool for investigating ultrafast dynamics in a wide range of materials.

关键词： materials dynamics phonon

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Microstructure and magnetocaloric properties of melt-extracted SmGdDyCoAl high-entropy amorphous microwires

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Rare Metals 2024年第3期43卷 1234-1242页

作者： Shi-Jie Wei Hong-Xian Shen Lun-Yong Zhang Lin Luo Xin-Xing Tang Jian-Fei Sun Xiao-Qing Li School of Materials Science and Engineering Harbin Institute of TechnologyHarbin150001China Applied Materials Physics Department of Materials Science and EngineeringKTH-Royal Institute of Technology10044StockholmSweden

This paper presents a systematic investigation of the microstructure and magnetocaloric properties of melt-extracted Sm_(20)Gd_(20)Dy_(20)Co_(20)Al_(20)high-entropy *** fabricated wires exhibited an amorphous structure,and the temperature interval of the undercooled liquid AT was 45 *** microwires underwent a second-order magnetic transition from a ferromagnetic to a paramagnetic state near the Curie temperature(T_(C)=52 K),The maximum magnetic entropy change(-ΔS_M^(max)),the relative cooling power and the refrigeration capacity reached 6.34 J·kg^(-1)·K^(-1).422.09 J·kg^(-1)and 332.94 J·kg^(-1),respectively,under a magnetic field change of 5 *** addition,the temperature-averaged entropy changes with two temperature lifts(3 and 10 K)were 6.32 and 6.27 J·kg^(-1)·K^(-1),*** good magnetocalorie performance highlights the significant potential for the Sm_(20)Gd_(20)Dy_(20)Co_(20)Al_(20)microwires to be used as magnetic refrigerant materials in low-temperature region *** work will serve as a valuable reference for future investigations on low-temperature high-entropy magnetocaloric materials.

关键词： Melt-extraction High-entropy amorphous microwires Magnetocaloric effect Magnetic refrigeration

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Phase-field simulations of the effect of temperature and interface for zirconiumδ-hydrides

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Chinese physics B 2024年第4期33卷 701-710页

作者：陈子航盛杰刘瑜施小明黄厚兵许可王越超武帅孙博刘海风宋海峰 School of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081China Advanced Research Institute of Multidisciplinary Science Beijing Institute of TechnologyBeijing 100081China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China Department of Physics University of Science and Technology BeijingBeijing 100083China

Hydride precipitation in zirconium cladding materials can damage their integrity and *** temperature and material defects have a significant effect on the dynamic growth of *** this study,we have developed a phasefield model based on the assumption of elastic behaviour within a specific temperature range(613 K-653 K).This model allows us to study the influence of temperature and interfacial effects on the morphology,stress,and average growth rate of zirconium *** results suggest that changes in temperature and interfacial energy influence the length-to-thickness ratio and average growth rate of the hydride *** ultimate determinant of hydride orientation is the loss of interfacial coherency,primarily induced by interfacial dislocation defects and quantifiable by the mismatch degree *** escalation in interfacial coherency loss leads to a transition of hydride growth from horizontal to vertical,accompanied by the onset of redirection ***,redirection occurs at a critical mismatch level,denoted as qc,and remains unaffected by variations in temperature and interfacial ***,this redirection leads to an increase in the maximum stress,which may influence the direction of hydride crack *** research highlights the importance of interfacial coherency and provides valuable insights into the morphology and growth kinetics of hydrides in zirconium alloys.

关键词： zirconium hydride phase-field method temperature effect mismatch degree

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Unveiling spin magnetic effect of TM doped SnS_(2) nanosheet with enhanced hydrogen evolution reaction

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Journal of Energy Chemistry 2024年第12期99卷 636-644页

作者： Ruixin Xu Tianzhao Lin Shiqian Cao Tingting Bo Yanyu Liu Wei Zhou Department of Applied Physics Tianjin Key Laboratory of Low Dimensional Materials Physics and Preparing TechnologySchool of ScienceTianjin UniversityTianjin 300072China College of Physics and Materials Science Tianjin Normal UniversityTianjin 300387China

Photoelectrochemical hydrogen evolution reaction(HER)is taken into account as an alternative to effective hydrogen production,emphasizing the importance of *** magnetism of catalysts could modulate the adsorption of the H atom and further enhance the HER ***,doping the double transition metal atoms on SnS_(2) nanosheet(TM_(2)@SnS_(2))to form the efficient magnetic catalyst is proposed to explore the spin magnetic effect on the HER *** performing first-principles calculations,nonmagnetic V_(2)@SnS_(2) is proved to be the candidate of the HER catalyst;nevertheless,the HER activities of antiferromagnetic and ferromagnetic V_(2)@SnS_(2) are relatively inferior due to the spin-induced charge ***,machine learning analysis shows the absolute importance of the electronic structure of TM dopants and surrounding S ligands,and the HER activity could be predicted by the modified band centers of S-3p_(z) and ***,the proof-of-concept experiment has substantiated the above theoretical predictions by significantly increasing liner sweep voltammetry and photocurrent with applied magnetic *** work provides a new avenue for uncovering the spin catalytic mechanism and the exploration and design of efficient HER catalysts.

关键词： Density functional theory Hydrogen evolution reaction Tin sulfide Transition metal doping Machine learning

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Vibronic effect study of ^(1)A_(2) state of H_(2)O and D_(2)O

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Chinese physics B 2024年第5期33卷 395-399页

作者：张倍源王礼涵朱剑辉徐卫青马子茹赵小利吴勇朱林繁 Department of Modern Physics University of Science and Technology of ChinaHefei 230026China Center for Transformative Science ShanghaiTech UniversityShanghai 201210China Department of Physics Yantai UniversityYantai 264005China Institute of Applied Physics and Computational Mathematics Beijing 100088China School of Physics and Information Technology Shaanxi Normal UniversityXi'an 710119China HEDPS Center for Applied Physics and TechnologyPeking UniversityBeijing 100084China

The generalized oscillator strengths of the dipole-forbidden excitations of the ^(1)A_(2) of H_(2)O and D_(2)O were calculated with the time dependent density functional theory,by taking into account the vibronic *** is found that the vibronic effect converts the dipole-forbidden excitation of the ^(1)A_(2) into a dipole-allowed one,which enhances the intensities of the corresponding generalized oscillator strength in the small squared momentum transfer *** present investigation shows that the vibronic effect of H_(2)O is slightly stronger than that of D_(2)O,which exhibits a clear isotopic effect.

关键词： water heavy water generalized oscillator strength vibronic effect isotope effect

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Using the shadow of a black hole to examine the energy exchange between axion matter and a rotating black hole

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Physical Review D 2024年第6期110卷 L061503页

作者： Xiao-Mei Kuang Yuan Meng Eleftherios Papantonopoulos Xi-Jing Wang Center for Gravitation and Cosmology College of Physical Science and Technology Physics Division School of Applied Mathematical and Physical Sciences Department of Astronomy School of Physics and Technology

We find that a slowly rotating axion-modified black hole resulting from the backreaction of an axion field on a rotating Kerr black hole can have a D-shaped shadow as that for a highly counterrotating Kerr black hole. This is attributed to the fact that the energy exchange between the axion matter and the black hole influences the rotation of the black hole, so the black hole angular momentum first decreases to zero and then starts to rotate to the opposite direction. Further increasing the coupling leads to “human-face-like”-shaped shadows and new lensing due to the chaotic scattering, which are novel and drastically different from those for a Kerr black hole. Our analysis provides the first counterexample to that slowly rotating black hole has nearly circular shadow.

关键词： Alternative gravity theories Classical black holes

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Gravitational wave analogs in spin nematics and cold atoms

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Physical Review B 2024年第22期109卷 L220407-L220407页

作者： Leilee Chojnacki Rico Pohle Han Yan Yutaka Akagi Nic Shannon Theory of Quantum Matter Unit Department of Applied Physics Graduate School of Science and Technology Department of Physics & Astronomy Smalley-Curl Institute Institute for Solid State Physics University of Tokyo Kashiwa 277-8581 Chiba Japan Department of Physics Graduate School of Science

Large-scale gravitational phenomena are famously difficult to observe, making parallels in condensed matter physics a valuable resource. Here we show how spin nematic phases, found in magnets and cold atoms, can provide an analog to linearized gravity. In particular, we show that the Goldstone modes of these systems are massless spin-2 bosons, in one-to-one correspondence with quantized gravitational waves in flat spacetime. We identify a spin-1 model supporting these excitations and, using simulation, outline a procedure for their observation in a 23Na spinor condensate.

关键词： Gravitational waves Nematic order Quantum fluids & solids Spinor Bose-Einstein condensates Effective field theory Numerical techniques

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Multiplexed wavefront sensing using a grating array-based wavefront sensor

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Optics Express 2025年第3期33卷 4437-4445页

作者： Singh, Jaspal Pathak, Biswajit Narayanamurthy, C.S. Ganesan, A.R. Applied Optics Laboratory Department of Physics Indian Institute of Technology Madras Tamil Nadu Chennai600036 India Applied and Adaptive Optics Laboratory Department of Physics Indian Institute of Space Science and Technology Kerala Thiruvananthapuram695547 India

This paper addresses the ambiguity problem associated with a periodic array of spots in the Shack-Hartmann wavefront sensor (SHWS) when used for multiplexed wavefront sensing, corresponding to multiple isoplanatic patches. We overcome this issue by introducing a multiplexed wavefront sensing scheme, utilizing a grating array-based wavefront sensor that is a programmable version of SHWS. Three beams representing lights from three distinct guide stars are generated to validate the proposed scheme. Each beam passed through different regions of a pseudo-random phase plate, resulting in different random phases that mimic turbulence effects. We detected three wavefronts from a single frame of data by employing a binary phase grating array on a spatial light modulator at the pupil plane. The proposed sensing scheme is compatible with existing wavefront reconstruction algorithms. This study has potential applications in multi-conjugate adaptive optics, where multiple wavefront sensors are needed to detect various isoplanatic patches in order to expand the field of view in turbulent conditions. © 2025 Optica Publishing Group under the terms of the Optica Open Access Publishing Agreement.

关键词： Adaptive optics

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Quantum oscillation signatures of the Bloch-Grüneisen temperature in the Dirac semimetal ZrTe5

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Physical Review B 2024年第12期110卷 L121103页

作者： S. Galeski K. Araki O. K. Forslund R. Wawrzyńczak H. F. Legg P. K. Sivakumar U. Miniotaite F. Elson M. Månsson C. Witteveen F. O. von Rohr A. Q. R. Baron D. Ishikawa Q. Li G. Gu L. X. Zhao W. L. Zhu G. F. Chen Y. Wang S. S. P. Parkin D. Grobunov S. Zherlitsyn B. Vlaar D. H. Nguyen S. Paschen P. Narang C. Felser J. Wosnitza T. Meng Y. Sassa S. A. Hartnoll J. Gooth Physikalisches Institut Hochfeld-Magnetlabor Dresden (HLD-EMFL) and Wurzburg-Dresden Cluster of Excellence ct.qmat Applied Physics Physik-Institut Department of Physics and Astronomy Nothnitzer Straße 40 01187 Dresden Germany Department of Physics Weinberg 2 06120 Halle (Saale) Germany Department of Applied Physics Department of Quantum Matter Physics Precision Spectroscopy Division CSRR Condensed Matter Physics and Materials Science Department Beijing National Laboratory for Condensed Matter Physics Dongguan Guangdong 523808 China School of Physics Science School of Physics and Information Technology Institute of Solid State Physics College of Letters and Science Institut fur Festkorper- und Materialphysik Institute of Theoretical Physics and Wurzburg-Dresden Cluster of Excellence ct.qmat Department of Applied Mathematics and Theoretical Physics

The electron-phonon interaction is in many ways a solid state equivalent of quantum electrodynamics. Being always present, the e-p coupling is responsible for the intrinsic resistance of metals at finite temperatures, making it one of the most fundamental interactions present in solids. In typical metals, different regimes of e-p scattering are separated by a characteristic phonon energy scale—the Debye temperature. However, in metals harboring very small Fermi surfaces a new scale emerges—the Bloch-Grüneisen temperature. This is a temperature at which the average phonon momentum becomes comparable to the Fermi momentum of the electrons. Here we report sub-Kelvin transport and sound propagation experiments on the Dirac semimetal ZrTe5. The combination of the simple band structure with only a single small Fermi surface sheet allowed us to directly observe the Bloch-Grüneisen temperature and its consequences on electronic transport of a 3D metal in the limit where the small size of the Fermi surface leads to effective restoration of translational invariance of free space. Our results indicate that on entering this hydrodynamic transport regime, the viscosity of the Dirac electronic liquid undergoes an anomalous increase beyond the theoretically predicted T5 temperature dependence. Extension of our measurements to strong magnetic fields reveal that, despite the dimensional reduction of the electronic band structure, the electronic liquid retains characteristics of the zero-field hydrodynamic regime up to the quantum limit. This is vividly reflected by an anomalous suppression of the amplitude of quantum oscillations seen in the Shubnikov-de Haas effect.

关键词： Acoustic phonons Density of states Dirac fermions Elastic modulus Electrical conductivity Fermi surface Fermions Landau levels Magnetoacoustic effect Shubnikov-de Haas effect Ultrasound attenuation de Haas-van Alphen effect Dirac semimetal Topological insulators Density functional theory Dilution refrigerator Hall bar Inelastic X-ray scattering Methods in transport Resistivity measurements Ultrasound spectroscopy

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Realization of a cold atom gyroscope in space

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National science Review 2025年第4期12卷 107-116页

作者： Jinting Li Xi Chen Danfang Zhang Wenzhang Wang Yang Zhou Meng He Jie Fang Lin Zhou Chuan He Junjie Jiang Huanyao Sun Qunfeng Chen Lei Qin Xiao Li Yibo Wang Xiaowei Zhang Jiaqi Zhong Runbing Li Meizhen An Long Zhang Shuquan Wang Zongfeng Li Jin Wang Mingsheng Zhan State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics Division of Precision Measurement Physics Innovation Academy for Precision Measurement Science and TechnologyChinese Academy of Sciences School of Physical Sciences University of Chinese Academy of Sciences Hefei National Laboratory Department of Quantum Perception Research Wuhan Institute of Quantum Technology Laboratory of Space Experimental Technology Technology and Engineering Center for Space UtilizationChinese Academy of Sciences

High-precision gyroscopes in space are essential for fundamental physics research and *** to its potential high precision,the cold atom gyroscope is expected to be one of the next generation of gyroscopes in ***,we report the first realization of a cold atom gyroscope,which was demonstrated by the atom interferometer installed in the China Space Station(CSS) as a *** compensating for the CSS's high dynamic rotation rate using a built-in piezoelectric mirror,spatial interference fringes in the interferometer are successfully ***,the optimized ratio of the Raman laser's angles is derived,the coefficients of the piezoelectric mirror are self-calibrated in orbit,and various systemic effects are *** achieve a rotation measurement resolution of 50 μrad/s for a single shot and 17 μrad/s for an average number of *** measured rotation is -1142±29 μrad/s and is compatible with that recorded by the classical gyroscope of the *** study paves the way for developing high-precision cold atom gyroscopes in space.

关键词： atom interferometer space microgravity gyroscope

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