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Magnetic Control of Soft Chiral Phonons in PbTe

Physical Review Letters 2022年第7期128卷 075901-075901页

作者： Andrey Baydin Felix G. G. Hernandez Martin Rodriguez-Vega Anderson K. Okazaki Fuyang Tay G. Timothy Noe, II Ikufumi Katayama Jun Takeda Hiroyuki Nojiri Paulo H. O. Rappl Eduardo Abramof Gregory A. Fiete Junichiro Kono Department of Electrical and Computer Engineering Rice University Houston Texas 77005 USA Smalley-Curl Institute Rice University Houston Texas 77005 USA Instituto de Física Universidade de São Paulo São Paulo São Paulo 05508-090 Brazil Theoretical Division Los Alamos National Laboratory Los Alamos New Mexico 87545 USA Laboratório Associado de Sensores e Materiais Instituto Nacional de Pesquisas Espaciais São José dos Campos São Paulo 12201-970 Brazil Applied Physics Graduate Program Smalley-Curl Institute Rice University Houston Texas 77005 USA Department of Physics Graduate School of Engineering Science Yokohama National University Yokohama 240-8501 Japan Institute for Materials Research Tohoku University Sendai 980-8577 Japan Department of Physics Northeastern University Boston Massachusetts 02115 USA Department of Physics Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA Department of Physics and Astronomy Rice University Houston Texas 77005 USA Department of Material Science and NanoEngineering Rice University Houston Texas 77005 USA

PbTe crystals have a soft transverse optical phonon mode in the terahertz frequency range, which is known to efficiently decay into heat-carrying acoustic phonons, resulting in anomalously low thermal conductivity. Here, we studied this phonon via polarization-dependent terahertz spectroscopy. We observed softening of this mode with decreasing temperature, indicative of incipient ferroelectricity, which we explain through a model including strong anharmonicity with a quartic displacement term. In magnetic fields up to 25 T, the phonon mode splits into two modes with opposite handedness, exhibiting circular dichroism. Their frequencies display Zeeman splitting together with an overall diamagnetic shift with increasing magnetic field. Using a group-theoretical approach, we demonstrate that these observations are the result of magnetic field-induced morphic changes in the crystal symmetries through the Lorentz force exerted on the lattice ions. Thus, our Letter reveals a novel process of controlling phonon properties in a soft ionic lattice by a strong magnetic field.

关键词： Chirality Diamagnetism Magneto-dielectric effect Optical phonons Thermal conductivity Zeeman effect Terahertz time-domain spectroscopy

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Developing self-adaptive microservice systems: Challenges and directions

arXiv

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arXiv 2019年

作者： Mendonça, Nabor C. Jamshidi, Pooyan Garlan, David Pahl, Claus Post Graduate Program in Applied Informatics University of Fortaleza FortalezaCE Brazil Computer Science and Engineering Department University of South Carolina ColumbiaSC United States School of Computer Science Carnegie Mellon University PittsburghPA United States Faculty of Computer Science Free University of Bozen-Bolzano Bozen-Bolzano Italy

A self-adaptive system can dynamically monitor and adapt its behavior to preserve or enhance its quality attributes under uncertain operating conditions. This article identifies key challenges for the development of microservice applications as self-adaptive systems, using a cloud-based intelligent video surveillance application as a motivating example. It also suggests potential new directions for addressing most of the identified challenges by leveraging existing microservice practices and technologies. Copyright © 2019, The Authors. All rights reserved.

关键词： Adaptive systems

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Chemical Electron Tomography at Lower Dose and Higher Resolution

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Microscopy and Microanalysis 2024年第SUPPLEMENT_1期30卷

作者： Hovden, Robert Schwartz, Jonathan Sung, Suk Hyun Di, Zichao Wendy Jiang, Yi Manassa, Jason Pietryga, Jacob Qian, Yiwen Cho, Min Gee Rowell, Jonathan L Zheng, Huihuo Robinson, Richard D Gu, Junsi Kirilin, Alexey Rozeveld, Steve Ercius, Peter Scott, Mary Department of Materials Science and Engineering University of Michigan Ann Arbor MI Applied Physics Program University of Michigan Ann Arbor MI Chan Zuckerberg Initiative Redwood City CA Rowland Institute at Harvard Cambridge MA. Mathematics and Computer Science Division Argonne National Laboratory Lemont IL Advanced Photon Source Facility Argonne National Laboratory Lemont IL Department of Materials Science and Engineering U.C. Berkeley Berkeley CA National Center for Electron Microscopy Molecular Foundry Berkeley CA Department of Chemistry and Chemical Biology Cornell University Ithaca NY Argonne Leadership Computing Facility Argonne National Laboratory Lemont IL Dow Chemical Co. Terneuzen Netherlands Dow Chemical Co. Midland MI

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In-silico structural and functional analysis of nonsynonymous single nucleotide polymorphisms in human FOLH1 gene

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In silico pharmacology 2025年第1期13卷 32页

作者： Abtin Tondar Muhammad Irfan Sergio Sánchez-Herrero Hafsa Athar Aleena Haqqi Asim Kumar Bepari Laura Calvet Liñán David Hervás Marin Department of Computer Science Multimedia and Telecommunication Interuniversity Doctoral Program in Bioinformatics Universitat Oberta de Catalunya Barcelona (UOC) Spain. Stanford Deep Data Research Center Stanford University Stanford USA. Atta-Ur-Rahman School of Applied Biosciences (ASAB) National University of Sciences and Technology (NUST) Islamabad Punjab Pakistan. School of Medical Laboratory Technology Minhaj University Lahore (MUL) Lahore Punjab Pakistan. Department of Pharmaceutical Sciences North South University (NSU) Dhaka Bangladesh. Telecommunications and Systems Engineering Department Universitat Autònoma de Barcelona (UAB) Sabadell Spain. Department of Applied Statistics and Operational Research and Quality Alcoy Universitat Politècnica de València (UPV) Alcoy Spain.

Non-synonymous single nucleotide polymorphisms (nsSNPs), also known as missense SNPs, can seriously affect an individual’s vulnerability to numerous diseases, including cancer. In this study, we conducted a comprehensive in-silico analysis to examine the structural and functional implications of nsSNPs within the Folate Hydrolase 1(FOLH1) gene, which encodes the Prostate-Specific Membrane Antigen (PSMA). A total of 504 SNPs were retrieved, and after filtering, 15 pathogenic nsSNPs were identified using five different in-silico tools. Three of these SNPs—R255H (rs375565491), R255C (rs201789325), and G168E (rs267602926)—were consistently predicted to be pathogenic across all in-silico tools. MutPred2 was used to predict the structural and functional consequences of the identified mutations. The analysis revealed multiple alterations in the PSMA protein, including changes in helical conformations, glycosylation patterns, transmembrane properties, and solvent accessibility. Furthermore, I-Mutant 2.0 analysis demonstrated a decrease in protein stability for most nsSNPs, except for rs267602926 (G168E), which was predicted to increase stability. Conservation analysis using ConSurf revealed varying degrees of amino acid conservation, with R255H and R255C identified as highly conserved residues, indicating their potential functional and structural significance. Additionally, post-translational modification (PTM) analysis indicated that while phosphorylation and methylation sites remained unchanged, specific glycosylation sites were lost in two pathogenic mutant variants (R255H and R255C), potentially affecting PSMA function and adversely impacting prostate cancer. Our findings highlight the importance of in silico studies to investigate the structural and functional impacts of FOLH1 nsSNPs on the PSMA protein. Such in silico studies can deepen our understanding of the roles of nsSNPs in prostate cancer onset, progression, and drug resistance.

关键词： FOLH1 In-silico structural and functional analyses PSMA PTM nsSNPs

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Spectral evidence for unidirectional charge density wave in detwinned BaNi2As2

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Physical Review B 2023年第8期108卷 L081104-L081104页

作者： Yucheng Guo Mason Klemm Ji Seop Oh Yaofeng Xie Bing-Hua Lei Luca Moreschini Cheng Chen Ziqin Yue Sergey Gorovikov Tor Pedersen Matteo Michiardi Sergey Zhdanovich Andrea Damascelli Jonathan Denlinger Makoto Hashimoto Donghui Lu Chris Jozwiak Aaron Bostwick Eli Rotenberg Sung-Kwan Mo Rob G. Moore Junichiro Kono Robert J. Birgeneau David J. Singh Pengcheng Dai Ming Yi Department of Physics and Astronomy Rice University Houston Texas 77005 USA Advanced Light Source Lawrence Berkeley National Laboratory Berkeley California 94720 USA Department of Physics University of California Berkeley California 94720 USA Department of Physics and Astronomy University of Missouri Columbia Missouri 65211 USA Materials Science Division Lawrence Berkeley National Laboratory Berkeley California 94720 USA Department of Physics University of Oxford Oxford OX1 3PU United Kingdom Applied Physics Graduate Program Smalley-Curl Institute Rice University Houston Texas 77005 USA Canadian Light Source Inc. 44 Innovation Boulevard Saskatoon SK S7N 2V3 Canada Department of Physics and Astronomy University of British Columbia Vancouver British Columbia V6T 1Z1 Canada Quantum Matter Institute University of British Columbia Vancouver British Columbia V6T 1Z4 Canada Max Planck Institute for Chemical Physics of Solids Nöthnitzer Straße 40 01187 Dresden Germany Stanford Synchrotron Radiation Lightsource SLAC National Accelerator Laboratory Menlo Park California 94025 USA Materials Science and Technology Division Oak Ridge National Laboratory Oak Ridge Tennessee 37831 USA Department of Electrical and Computer Engineering Rice University Houston Texas 77005 USA Smalley-Curl Institute Rice University Houston Texas 77005 USA Department of Materials Science and NanoEngineering Rice University Houston Texas 77005 USA Department of Chemistry University of Missouri Columbia Missouri 65211 USA

In the iron-based superconductors, unconventional superconductivity emerges in proximity to intertwined electronic orders consisting of an electronic nematic order and a spin density wave (SDW). Recently, BaNi2As2, like its well-known iron-based analog BaFe2As2, has been discovered to host a symmetry-breaking structural transition but coupled to a unidirectional charge density wave (CDW) instead of SDW, providing a novel platform to study intertwined orders. Here, through a systematic angle-resolved photoemission spectroscopy study combined with a detwinning B1g uniaxial strain, we identify distinct spectral evidence of band evolution due to the structural transition as well as CDW-induced band folding. In contrast to the nematicity and spin density wave in BaFe2As2, the structural and CDW order parameters in BaNi2As2 are observed to be strongly coupled and do not separate in the presence of uniaxial strain. Furthermore, no nematic band splitting is resolved above the structural transition. Our measurements point to a likely lattice origin of the CDW order in BaNi2As2.

关键词： Charge density waves Nematic phase transition Iron-based superconductors Angle-resolved photoemission spectroscopy

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International Workshop on Applications of Probability and Statistics to Biology,July 11-13,2019--In Honor of Professor Minping Qian’s 80th Birthday

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Quantitative Biology 2020年第2期8卷 177-186页

作者： Minghua Deng Jianfeng Feng Hong Qian Lin Wan Fengzhu Sun Center for Quantitative Biology Peking UniversityBeijing 100871China LMAM Center for Statistical ScienceSchool of Mathematical SciencesPeking UniversityBeijing 100871China Institute of Science and Technology for Brain-inspired Intelligence Fudan UniversityShanghai 200433China School of Mathematical Sciences Fudan UniversityShanghai 200433China Centre for Computational Systems Biology Fudan UniversityShanghai 200433China Key Laboratory of Computational Neuroscience and Brain-Inspired Intelligence at Fudan University Ministry of EducationShanghai 200433China Department of Computer Science University of WarwickCoventryCV47ALUnited Kingdom Department of Applied Mathematics University of WashingtonSeattleWA 98195USA NCMIS Academy of Mathematics and Systems ScienceChinese Academy of SciencesBeijing 100190China School of Mathematical Sciences University of Chinese Academy of SciencesBeijing 100049China Quantitative and Computational Biology Program University of Southern CaliforniaLos AngelesCA 90089USA

The International Workshop on Applications of Probability and Statistics to Biology(APSB)was successfully held in Shanghai,China,July 11-13,*** workshop was hosted by the Institute of science and Technology for Brain-inspired Intelligence(ISTBI)at Fudan University,and in honor of the 80th birthday of *** Qian of Peking *** of the twenty eight speakers were former students or close collaborators of ***;and there were over eighty participants from all over China and United States.

关键词： Probability speakers ping

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Nonreciprocal transport in a bilayer of MnBi2Te4 and Pt

arXiv

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arXiv 2022年

作者： Ye, Chen Xie, Xiangnan Lv, Wenxing Huang, Ke Yang, Allen Jian Jiang, Sicong Liu, Xue Zhu, Dapeng Qiu, Xuepeng Tong, Mingyu Zhou, Tong Hsu, Chuang-Han Chang, Guoqing Lin, Hsin Li, Peisen Yang, Kesong Wang, Zhenyu Jiang, Tian Wang, Xiao Renshaw Division of Physics and Applied Physics School of Physical and Mathematical Sciences Nanyang Technological University 21 Nanyang Link 637371 Singapore State Key Laboratory of High Performance Computing College of Computer Science and Technology National University of Defense Technology Changsha410073 China Physics Laboratory Industrial Training Center Shenzhen Polytechnic Guangdong Shenzhen518055 China Department of NanoEngineering Program of Chemical Engineering University of California La Jolla San DiegoCA92093-0448 United States Program of Materials Science and Engineering University of California La Jolla San DiegoCA92093-0418 United States Institutes of Physical Science and Information Technology Anhui University Hefei230601 China Fert Beijing Institute MIIT Key Laboratory of Spintronics School of Integrated Circuit Science and Engineering Beihang University Beijing100191 China Beihang-Goertek Joint Microelectronics Institute Qingdao Research Institute Beihang University Qingdao266000 China Shanghai Key Laboratory of Special Artificial Microstructure Materials and Technology School of Physics Science and Engineering Tongji University Shanghai200092 China College of Advanced Interdisciplinary Studies National University of Defense Technology Changsha410073 China Insitute of Physics Academia Sinica Taipei115229 Taiwan College of Intelligence Science and Technology National University of Defense Technology Changsha410073 China National Innovation Institute of Defense Technology Academy of Military Sciences PLA China Beijing100010 China Beijing Academy of Quantum Information Sciences Beijing100084 China Beijing Institute for Advanced Study National University of Defense Technology Changsha410073 China School of Electrical and Electronic Engineering Nanyang Technological University 50 Nanyang Ave 639798 Singapore

MnBi2Te4 (MBT) is the first intrinsic magnetic topological insulator with the interaction of spin-momentum locked surface electrons and intrinsic magnetism, and it exhibits novel magnetic and topological phenomena. Recent studies suggested that the interaction of electrons and magnetism can be affected by the Mn-doped Bi2Te3 phase at the surface due to inevitable structural defects. Here we report an observation of nonreciprocal transport, i.e. current-direction-dependent resistance, in a bilayer composed of antiferromagnetic MBT and nonmagnetic Pt. The emergence of the nonreciprocal response below the Néel temperature confirms a correlation between nonreciprocity and intrinsic magnetism in the surface state of MBT. The angular dependence of the nonreciprocal transport indicates that nonreciprocal response originates from the asymmetry scattering of electrons at the surface of MBT mediated by magnon. Our work provides an insight into nonreciprocity arising from the correlation between magnetism and Dirac surface electrons in intrinsic magnetic topological insulators. © 2022, CC BY.

关键词： Magnetism

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Radiotherapy Communication Skills Training using Chatbot-Based Prototype (SCIMORT)

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Journal of Medical Imaging and Radiation sciences 2022年第4期53卷 S1-S1页

作者： Nor, A Nur, S Muhamad, K Rozilawati, A Noorazrul, Y Muhammad, F Nani, S Noraini, W Saiful, H Liyana, S Diagnostic Imaging and Radiotherapy Program School of Diagnostic and Applied Health Sciences Faculty of Health Sciences Universiti Kebangsaan Malaysia Jalan Raja Muda Abdul Aziz 50300 Kuala Lumpur Malaysia Department of Mathematical Sciences Faculty of Science and Technology Universiti Kebangsaan Malaysia UKM Bangi 43600 Selangor Darul Ehsan Malaysia Department of Information Systems Faculty of Computer Science and Information Technology University of Malaya 50603 Kuala Lumpur Malaysia

IntroductionEffective communication skills are integral to providing adequate patient care and are fundamental to its effectiveness. This is particularly important for radiotherapy students while interacting with patients. Students tend to feel disempowered and inadequate to communicate effectively due to repeated miscommunication between students and patients. For students seeking to develop their abilities, confidence, knowledge, and critical thinking, blended learning-based communication skills training may have been an alternative approach. In this study, a chatbot-based prototype model (SCIMORT module) was designed to effectively improve the communication skills of undergraduates in Diagnostic Imaging and Radiotherapy at Universiti Kebangsaan Malaysia. MethodsSCIMORT was developed in compliance with the Clinical Practice for Radiotherapy course's academic syllabus and learning objectives. SCIMORT was constructed using Blender with final exportation to Bot Libre. The research study is divided into two phases. The first phase focuses on developing the SCIMORT module, while the second phase includes properly evaluating the prototype created in the first phase via a survey questionnaire. ResultsThe virtual patient created in the first phase was displayed a visual cue (e.g. blinking, eye movement) and auditory cues (e.g. verbal response, intonation of voice). In the second phase, the expert validation of the questionnaire resulted in a high Content Validity Ratio of more than 0.83 percent and a Cronbach Alpha Coefficient of more than 70%. Both the control group's (users' acceptance = 3.919 ± 1.245; users' engagement = 3.526 ± 1.270) and Trial group's (users' acceptance = 3953 ± 1.114; users' engagement = 3.568 ± 1.142) users' acceptance and engagement with SCIMORT were neutral. ConclusionThe SCIMORT has proven to be an effective and acceptable tool for pre-clinical learning, but with limited levels of engagement. The SCIMORT module should be continually improved by

关键词： SCIMORT module communication skill virtual patients virtual clinical experience breast cancer simulation

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A Low-rank solver for the stochastic unsteady navier-stokes problem

arXiv

引用

arXiv 2019年

作者： Elman, Howard Su, Tengfei Department of Computer Science Institute for Advanced Computer Studies University of Maryland College ParkMD20742 United States Applied Mathematics & Statistics and Scientific Computation Program University of Maryland College ParkMD20742 United States

We study a low-rank iterative solver for the unsteady Navier–Stokes equations for incompressible flows with a stochastic viscosity. The equations are discretized using the stochastic Galerkin method, and we consider an all-at-once formulation where the algebraic systems at all the time steps are collected and solved simultaneously. The problem is linearized with Picard’s method. To efficiently solve the linear systems at each step, we use low-rank tensor representations within the Krylov subspace method, which leads to significant reductions in storage requirements and computational costs. Combined with effective mean-based preconditioners and the idea of inexact solve, we show that only a small number of linear iterations are needed at each Picard step. The proposed algorithm is tested with a model of flow in a two-dimensional symmetric step domain with different settings to demonstrate the computational efficiency. Copyright © 2019, The Authors. All rights reserved.

关键词： Navier Stokes equations

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Multigoal-oriented error estimation and mesh adaptivity for fluid-structure interaction

arXiv

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arXiv 2021年

作者： Ahuja, K. Endtmayer, B. Steinbach, M.C. Wick, Thomas Discipline of Computer Science and Engineering Indian Institute of Technology Indore India Leibniz Universität Hannover Institut für Angewandte Mathematik Welfengarten 1 Hannover30167 Germany Leibniz Universität Hannover Germany Université Paris-Saclay ENS Paris-Saclay LMT - Laboratoire de Mécanique et Technologie Gif-sur-Yvette91190 France Johannes Kepler University Linz Doctoral Program on Computational Mathematics Altenbergerstr. 69 LinzA-4040 Austria Austrian Academy of Sciences Johann Radon Institute for Computational and Applied Mathematics Altenbergerstr. 69 LinzA-4040 Austria

In this work, we consider multigoal-oriented error estimation for stationary fluid-structure interaction. The problem is formulated within a variational-monolithic setting using arbitrary Lagrangian-Eulerian coordinates. Employing the dual-weighted residual method for goal-oriented a posteriori error estimation, adjoint sensitivities are required. For multigoal-oriented error estimation, a combined functional is formulated such that several quantities of interest are controlled simultaneously. As localization technique for mesh refinement we employ a partition-of-unity. Our algorithmic developments are substantiated with several numerical tests such as an elastic lid-driven cavity with two goal functionals, an elastic bar in a chamber with two goal functionals, and the FSI-1 benchmark with three goal *** Codes 65N30, 65N50, 74F10 © 2021, CC BY-NC-ND.

关键词： Fluid structure interaction

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