检索结果-内蒙古大学图书馆

Strong Polarization of a J=1/2 to 1/2 Transition Arising from Unexpectedly Large Quantum Interference

Physical Review Letters 2023年第11期130卷 113001-113001页

作者： Nobuyuki Nakamura Naoki Numadate Simpei Oishi Xiao-Min Tong Xiang Gao Daiji Kato Hirokazu Odaka Tadayuki Takahashi Yutaka Tsuzuki Yuusuke Uchida Hirofumi Watanabe Shin Watanabe Hiroki Yoneda Institute for Laser Science The University of Electro-Communications Tokyo 182-8585 Japan Center for Computational Sciences University of Tsukuba Ibaraki 305-8573 Japan Institute for Applied Physics and Computational Mathematics Beijing 100088 China National Institute for Fusion Science Toki Gifu 509-5292 Japan Interdisciplinary Graduate School of Engineering Sciences Kyushu University Fukuoka 816-8580 Japan Department of Physics The University of Tokyo Tokyo 113-0033 Japan Kavli Institute for the Physics and Mathematics of the Universe (WPI) Institutes for Advanced Study (UTIAS) The University of Tokyo Chiba 277-8583 Japan Department of Physics School of Science and Technology Tokyo University of Science Chiba 278-8510 Japan Center of Applied Superconductivity and Sustainable Energy Research Chubu University Aichi 487-8501 Japan Institute of Space and Astronautical Science Japan Aerospace Exploration Agency Kanagawa 252-5210 Japan RIKEN Nishina Center Saitama 351-0198 Japan

We experimentally show that the 1s22s22p1/2−1s2s22p1/22 transition in Pb77+ emitted in dielectronic recombination of Pb78+ is strongly polarized, although it is an intrinsically unpolarized J=1/2 to 1/2 transition. This unanticipated polarization is shown to be due to quantum interference with radiative recombination. The interference effect has been studied on an asymmetric resonance profile but has never been studied on polarization. In this Letter, we show that the effect on polarization can arise from a different cross term than that responsible for asymmetry, resulting in unexpectedly large polarization even for a nearly symmetric resonance suggesting a small interference.

关键词： Relativistic & quantum electrodynamic effects in atoms, molecules,& ions Relativistic heavy-ion collisions Ions Polarization

来源：评论

学校读者我要写书评

暂无评论

Coupled chemical reactions: Effects of electric field, diffusion, and boundary control

引用

Physical Review E 2023年第6期108卷 064413-064413页

作者： Shixin Xu Robert Eisenberg Zilong Song Huaxiong Huang Zu Chongzhi Center for Mathematics and Computational Sciences Duke Kunshan University 8 Duke Ave Kunshan Jiangsu 215316 China Department of Applied Mathematics Illinois Institute of Technology Chicago Illinois 60616 USA and Department of Physiology and Biophysics Rush University Chicago Ilinois 60612 USA Math and Statistics Department Utah State University Old Main Hill Logan Utah 84322 USA Research Center for Mathematics Advanced Institute of Natural Sciences Beijing Normal University Zhuhai Guangdong 519088 China Guangdong Provincial Key Laboratory of Interdisciplinary Research and Application for Data Science BNU-HKBU United International College Zhuhai Guangdong 519088 China Laboratory of Mathematics and Complex Systems MOE Beijing Normal University Beijing 100875 China and Department of Mathematics and Statistics York University Toronto Ontario Canada M3J 1P3

Chemical reactions involve the movement of charges, and this paper presents a mathematical model for describing chemical reactions in electrolytes. The model is developed using an energy variational method that aligns with classical thermodynamics principles. It encompasses both electrostatics and chemical reactions within consistently defined energetic and dissipative functionals. Furthermore, the energy variation method is extended to account for open systems that involve the input and output of charge and mass. Such open systems have the capability to convert one form of input energy into another form of output energy. In particular, a two-domain model is developed to study a reaction system with self-regulation and internal switching, which plays a vital role in the electron transport chain of mitochondria responsible for ATP generation—a crucial process for sustaining life. Simulations are conducted to explore the influence of electric potential on reaction rates and switching dynamics within the two-domain system. It shows that the electric potential inhibits the oxidation reaction while accelerating the reduction reaction.

关键词： Continuum mechanics Dissipative dynamics Electric field effects

来源：评论

学校读者我要写书评

暂无评论

Adaptive tikhonov strategies for stochastic ensemble Kalman inversion

arXiv

引用

arXiv 2021年

作者： Weissmann, Simon Chada, Neil K. Schillings, Claudia Tong, Xin T. Interdisciplinary Center for Scientific Computing University of Heidelberg Heidelberg69120 Germany Applied Mathematics and Computational Science Program King Abdullah University of Science and Technology Thuwal KSA 23955 Saudi Arabia Mannheim School of Computer Science and Mathematics University of Mannheim Mannheim68131 Germany Department of Mathematics National University of Singapore Singapore119077 Singapore

Ensemble Kalman inversion (EKI) is a derivative-free optimizer aimed at solving inverse problems, taking motivation from the celebrated ensemble Kalman filter. The purpose of this article is to consider the introduction of adaptive Tikhonov strategies for EKI. This work builds upon Tikhonov EKI (TEKI) which was proposed for a fixed regularization constant. By adaptively learning the regularization parameter, this procedure is known to improve the recovery of the underlying unknown. For the analysis, we consider a continuous-time setting where we extend known results such as well-posdeness and convergence of various loss functions, but with the addition of noisy observations. Furthermore, we allow a time-varying noise and regularization covariance in our presented convergence result which mimic adaptive regularization schemes. In turn we present three adaptive regularization schemes, which are highlighted from both the deterministic and Bayesian approaches for inverse problems, which include bilevel optimization, the MAP formulation and covariance learning. We numerically test these schemes and the theory on linear and nonlinear partial differential equations, where they outperform the non-adaptive TEKI and *** Codes 65M32, 60G35, 65C35, 70F17 Copyright © 2021, The Authors. All rights reserved.

关键词： Continuous time systems

来源：评论

学校读者我要写书评

暂无评论

Antigenic cooperation in Viral Populations: Transformation of Functions of Intra-Host Viral Variants

arXiv

引用

arXiv 2022年

作者： Bunimovich, Leonid Ram, Athulya Skums, Pavel School of Mathematics Georgia Institute of Technology AtlantaGA30332 United States Interdisciplinary Graduate Program in Quantitative Biosciences Georgia Institute of Technology AtlantaGA30332 United States Department of Computer Science Georgia State University AtlantaGA30302 United States

In this paper we study intra-host viral adaptation by antigenic cooperation - a mechanism of immune escape that serves as an alternative to the standard mechanism of escape by continuous genomic diversification and allows to explain a number of experimental observations associated with the establishment of chronic infections by highly mutable viruses. Within this mechanism, the topology of a cross-immunoreactivity network forces intra-host viral variants to specialize for complementary roles and adapt to host's immune response as a quasi-social ecosystem. Here we study dynamical changes in immune adaptation caused by evolutionary and epidemiological events. First, we show that the emergence of a viral variant with altered antigenic features may result in a rapid re-arrangement of the viral ecosystem and a change in the roles played by existing viral variants. In particular, it may push the population under immune escape by genomic diversification towards the stable state of adaptation by antigenic cooperation. Next, we study the effect of a viral transmission between two chronically infected hosts, which results in merging of two intra-host viral populations in the state of stable immune-adapted equilibrium. In this case, we also describe how the newly formed viral population adapts to the host's environment by changing the functions of its members. The results are obtained analytically for minimal cross-immunoreactivity networks and numerically for larger populations. © 2022, CC BY.

关键词： Viruses

来源：评论

学校读者我要写书评

暂无评论

Numerical Studies on Perturbations to Plane Waves and Modulational Instability

SSRN

引用

SSRN 2022年

作者： Chakraborty, Samarpan Ide, Kayo Balachandran, Balakumar Computational Dynamics Laboratory Department of Mechanical Engineering University of Maryland College ParkMD20742 United States Department of Atmospheric and Oceanic Science Department of Mathematics Earth System Science Interdisciplinary Center Institute of Physical Science and Technology University of Maryland College ParkMD20742 United States Department of Mechanical Engineering University of Maryland College ParkMD20742 United States

Extreme waves, also known as "rogue waves" have posed considerable challenges to maritime traffic over the decades. Efforts have been directed at investigating the mechanisms governing these extreme energy localizations in the oceanic environments. A numerical wave tank has been constructed using Weakly Compressible Smoothed Particle Hydrodynamics (WCSPH) to investigate the different parameters associated with the generation and propagation of plane, modulated waves. General Process Graphics Computing Unit (GPGPU) computing has been utilized to accelerate the computational process. and improve the computational process efficiency. Appropriate wave making and wave absorbing arrangements have been provided in the wave tank for accurate measurement of data. The chosen numerical scheme has been validated by using two sets of simulations through comparisons with available experimental and machine learning prediction data. The effect of the different parameters associated with the modulations to a plane propagating wave were investigated by using a blend of surface elevation data, eigenvalue, and frequency spectra.. The observations from these experiments can help shed light into the effects of modulations in the propagation of plane waves. These will be beneficial into getting further insights into the phenomenon of modulational instability in oceanic environments, which can result in sudden spatio-temporal energy localizations. © 2022, The Authors. All rights reserved.

关键词： Modulation

来源：评论

学校读者我要写书评

暂无评论

DPA-2:a large atomic model as a multitask learner

引用

npj computational Materials 2024年第1期10卷 185-199页

作者： Duo Zhang Xinzijian Liu Xiangyu Zhang Chengqian Zhang Chun Cai Hangrui Bi Yiming Du Xuejian Qin Anyang Peng Jiameng Huang Bowen Li Yifan Shan Jinzhe Zeng Yuzhi Zhang Siyuan Liu Yifan Li Junhan Chang Xinyan Wang Shuo Zhou Jianchuan Liu Xiaoshan Luo Zhenyu Wang Wanrun Jiang Jing Wu Yudi Yang Jiyuan Yang Manyi Yang Fu-Qiang Gong Linshuang Zhang Mengchao Shi Fu-Zhi Dai Darrin M.York Shi Liu Tong Zhu Zhicheng Zhong Jian Lv Jun Cheng Weile Jia Mohan Chen Guolin Ke Weinan E Linfeng Zhang Han Wang AI for Science Institute BeijingP.R.China DP Technology BeijingP.R.China Academy for Advanced Interdisciplinary Studies Peking UniversityBeijingP.R.China State Key Lab of Processors Institute of Computing TechnologyChinese Academy of SciencesBeijingP.R.China University of Chinese Academy of Sciences BeijingP.R.China HEDPS CAPTCollege of EngineeringPeking UniversityBeijingP.R.China Ningbo Institute of Materials Technology and Engineering Chinese Academy of SciencesNingboP.R.China CAS Key Laboratory of Magnetic Materials and Devices and Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology Chinese Academy of SciencesNingboP.R.China School of Electronics Engineering and Computer Science Peking UniversityBeijingP.R.China Shanghai Engineering Research Center of Molecular Therapeutics&New Drug Development School of Chemistry and Molecular EngineeringEast China Normal UniversityShanghaiP.R.China Laboratory for Biomolecular Simulation Research Institute for Quantitative Biomedicine and Department of Chemistry and Chemical BiologyRutgers UniversityPiscatawayNJUSA Department of Chemistry Princeton UniversityPrincetonNJUSA College of Chemistry and Molecular Engineering Peking UniversityBeijingP.R.China Yuanpei College Peking UniversityBeijingP.R.China School of Electrical Engineering and Electronic Information Xihua UniversityChengduP.R.China State Key Laboratory of Superhard Materials College of PhysicsJilin UniversityChangchunP.R.China Key Laboratory of Material Simulation Methods&Software of Ministry of Education College of PhysicsJilin UniversityChangchunP.R.China International Center of Future Science Jilin UniversityChangchunP.R.China Key Laboratory for Quantum Materialsof Zhejiang Province Department of PhysicsSchool of ScienceWestlake UniversityHangzhouP.R.China Atomistic Simulations Italian Institute of TechnologyGenovaItaly State Key Laboratory of Physical Chemistry of Solid Surface iChEMCollege of Chemistry and Chemical EngineeringXiame

The rapid advancements in artificial intelligence(AI)are catalyzing transformative changes in atomic modeling,simulation,and ***-driven potential energy models havedemonstrated the capability to conduct large-scale,long-duration simulations with the accuracy of ab initio electronic structure ***,the model generation process remains a bottleneck for large-scale *** propose a shift towards a model-centric ecosystem,wherein a large atomic model(LAM),pretrained across multiple disciplines,can be efficiently fine-tuned and distilled for various downstream tasks,thereby establishing a new framework for molecular *** this study,we introduce the DPA-2 architecture as a prototype for ***-trained on a diverse array of chemical and materials systemsusing a multi-task approach,DPA-2demonstrates superior generalization capabilities across multiple downstream tasks compared to the traditional single-task pre-training and fine-tuning *** approach sets the stage for the development and broad application of LAMs in molecular and materials simulation research.

关键词： DPA establishing thereby

来源：评论

学校读者我要写书评

暂无评论

What we should learn from pandemic publishing

arXiv

引用

arXiv 2024年

作者： Sikdar, Satyaki Venturini, Sara Charpignon, Marie-Laure Kumar, Sagar Rinaldi, Francesco Tudisco, Francesco Fortunato, Santo Majumder, Maimuna S. Luddy School of Informatics Computing and Engineering Indiana University BloomingtonIN United States Department of Computer Science Loyola University Chicago ChicagoIL United States Senseable City Laboratory Massachusetts Institute of Technology CambridgeMA United States Department of Mathematics "Tullio Levi-Civita" University of Padova Padova Italy Institute for Data Systems and Society Massachusetts Institute of Technology CambridgeMA United States Network Science Institute Northeastern University BostonMA United States School of Mathematics The University of Edinburgh Edinburgh United Kingdom School of Mathematics Gran Sasso Science Institute L’Aquila Italy Department of Pediatrics Harvard Medical School BostonMA United States Computational Health Informatics Program Boston Children’s Hospital BostonMA United States

Since the emergence of COVID-19, discussions of ongoing pandemic-related research have accounted for an unprecedented share of media coverage and debate in the public sphere1. The urgency of the pandemic forced researchers to operate on an accelerated timeline, as both policymakers and the public relied on the most current evidence to guide their decisions and behaviors. With high demand for rapid pandemic-related insights and lower barriers to entry via preprint servers, the volume of COVID-19 articles skyrocketed2. The pressing need for research triggered the participation of many researchers with expertise in the science of infectious disease outbreaks (‘outbreak scientists’), who were joined by researchers from other disciplines (‘bellwethers’) and more junior researchers still in training (‘newcomers’) with the common goal of advancing the frontiers of pandemic science and informing policy decisions3. Please see Box 1 for details of this taxonomy. © 2024, CC BY-NC-ND.

关键词： COVID-19

来源：评论

学校读者我要写书评

暂无评论

The Role of Heterogeneity in Autonomous Perimeter Defense Problems

arXiv

引用

arXiv 2022年

作者： Adler, Aviv Mickelin, Oscar Ramachandran, K. Sukhatme, Gaurav S. Karaman, Sertac Department of Electrical Engineering and Computer Science Massachusetts Institute of Technology CambridgeMA United States Program in Applied and Computational Mathematics Princeton University Princeton NJ08544 United States Department of Computer Science University of Southern California Los AngelesCA90089 United States Department of Aeronautics and Astronautics Massachusetts Institute of Technology CambridgeMA02139 United States

When is heterogeneity in the composition of an autonomous robotic team beneficial and when is it detrimental? We investigate and answer this question in the context of a minimally viable model that examines the role of heterogeneous speeds in perimeter defense problems, where defenders share a total allocated speed budget. We consider two distinct problem settings and develop strategies based on dynamic programming and on local interaction rules. We present a theoretical analysis of both approaches and our results are extensively validated using simulations. Interestingly, our results demonstrate that the viability of heterogeneous teams depends on the amount of information available to the defenders. Moreover, our results suggest a universality property: across a wide range of problem parameters the optimal ratio of the speeds of the defenders remains nearly constant. Copyright © 2022, The Authors. All rights reserved.

关键词： Dynamic programming

来源：评论

学校读者我要写书评

暂无评论

Unbiased Estimation Using a Class of Diffusion Processes

SSRN

引用

SSRN 2022年

作者： Ruzayqat, Hamza Beskos, Alexandros Crisan, Dan Jasra, Ajay Kantas, Nikolas Applied Mathematics and Computational Science Program Computer Electrical and Mathematical Sciences and Engineering Division King Abdullah University of Science and Technology Thuwal23955-6900 Saudi Arabia Department of Statistical Science University College London LondonWC1E 6BT United Kingdom Department of Mathematics Imperial College London LondonSW7 2AZ United Kingdom

We study the problem of unbiased estimation of expectations with respect to (w.r.t.) π a given, general probability measure on (Rd,B(Rd)) that is absolutely continuous with respect to a standard Gaussian measure. We focus on simulation associated to a particular class of diffusion processes, sometimes termed the Schrödinger-Föllmer Sampler, which is a simulation technique that approximates the law of a particular diffusion bridge process {Xt}t∈[0,1] on Rd, d ∈ N0. This latter process is constructed such that, starting at X0 = 0, one has X1 ∼ π. Typically, the drift of the diffusion is intractable and, even if it were not, exact sampling of the associated diffusion is not possible. As a result, [10, 15] consider a stochastic Euler-Maruyama scheme that allows the development of biased estimators for expectations w.r.t. π. We show that for this methodology to achieve a mean square error of O(Ε2), for arbitrary Ε > 0, the associated cost is O(Ε−5). We then introduce an alternative approach that provides unbiased estimates of expectations w.r.t. π, that is, it does not suffer from the time discretization bias or the bias related with the approximation of the drift function. We prove that to achieve a mean square error of O(Ε2), the associated cost is, with high probability, O(Ε−2|log(Ε)|2+δ), for any δ > 0. We implement our method on several examples including Bayesian inverse problems. © 2022, The Authors. All rights reserved.

关键词： Diffusion

来源：评论

学校读者我要写书评

暂无评论

DeePKS+ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials

arXiv

引用

arXiv 2022年

作者： Li, Wenfei Ou, Qi Chen, Yixiao Cao, Yu Liu, Renxi Zhang, Chunyi Zheng, Daye Cai, Chun Wu, Xifan Wang, Han Chen, Mohan Zhang, Linfeng AI for Science Institute Beijing100080 China Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States HEDPS CAPT College of Engineering School of Physics Peking University Beijing100871 China Department of Physics Temple University PhiladelphiaPA19122 United States Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics Huayuan Road 6 Beijing100088 China DP Technology Beijing100080 China

Recently, the development of machine learning (ML) potentials has made it possible to perform large-scale and long-time molecular simulations with the accuracy of quantum mechanical (QM) models. However, for high-level QM methods, such as density functional theory (DFT) at the meta-GGA level and/or with exact exchange, quantum Monte Carlo, etc., generating a sufficient amount of data for training a ML potential has remained computationally challenging due to their high cost. In this work, we demonstrate that this issue can be largely alleviated with Deep Kohn-Sham (DeePKS), a ML-based DFT model. DeePKS employs a computationally efficient neural network-based functional model to construct a correction term added upon a cheap DFT model. Upon training, DeePKS offers closely-matched energies and forces compared with high-level QM method, but the number of training data required is orders of magnitude less than that required for training a reliable ML potential. As such, DeePKS can serve as a bridge between expensive QM models and ML potentials: one can generate a decent amount of high-accuracy QM data to train a DeePKS model, and then use the DeePKS model to label a much larger amount of configurations to train a ML potential. This scheme for periodic systems is implemented in a DFT package ABACUS, which is open-source and ready for use in various applications. © 2022, CC BY.

关键词： Density functional theory

来源：评论

学校读者我要写书评

暂无评论

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案：

请选择收藏分类：

通借通还

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：