Superadiabatic Forces and Dynamic Decay of Liquid Structure

液体结构的超绝热力和动态衰变

基本信息

项目摘要

The power functional theory, as a very recently proposed variationalapproach to many-body statistical physics, describes systems of colloidal particles that evolve in time via overdamped Brownian many-body dynamics. The theoretical description rests on the Smoluchowski equation of motion for the many-body distribution function in configuration space. The power functional framework provides an exact variational description of such classical many-body problems. It is formulated on the basis of the use of the one-body particle density and current as trial fields. There exists a unique ``free power'' functional, which is minimal at the physical solution, both for the case of equilibrium dynamics and arbitrarily far from equilibrium, i.e. the theory is not restricted to a linear response regime of small perturbations around equilibrium.While previous investigations of the power functional framework were primarily carried out for very simple (e.g. one-dimensional) test cases, the present project aims at using the theory in order to describe colloidal liquids, for both dense and dilute states. In particular the influence of memory contributions to the dynamics of two-body time correlation functions shall be investigated. A cornerstone of the research is provided by the recently found nonequilibrium Ornstein-Zernike relation, which relates the memory functions to measurable correlation functions, such as the van Hove correlation function.While the motivation of the proposal is deeply routed in theoretical physics, on a methodological level, we primarily intend to carry out Brownian Dynamics computer simulations. The quantities that we aim to calculate possess direct relevance for the power functional theory, such as the current-density and current-current two-body correlation functions. The project aims at obtaining a systematic understanding of the memory effects in liquids, which is a necessary step on the route towards constructing usable and robust approximation for the power functional that describe superadiabatic forces. Having such approximations will permit to study a broad range of interesting and relevant inhomogeneous and driven colloidal systems in the future.
The power functional theory, as a very recently proposed variationalapproach to many-body statistical physics, describes systems of colloidal particles that evolve in time via overdamped Brownian many-body dynamics. The theoretical description rests on the Smoluchowski equation of motion for the many-body distribution function in configuration space. The power functional framework provides an exact variational description of such classical many-body problems. It is formulated on the basis of the use of the one-body particle density and current as trial fields. There exists a unique ``free power'' functional, which is minimal at the physical solution, both for the case of equilibrium dynamics and arbitrarily far from equilibrium, i.e. the theory is not restricted to a linear response regime of small perturbations around equilibrium.While previous investigations of the power functional framework were primarily carried out for very simple (e.g. one-dimensional) test cases, the present project aims at using the theory in order to describe colloidal liquids, for both dense and dilute states. In particular the influence of memory contributions to the dynamics of two-body time correlation functions shall be investigated. A cornerstone of the research is provided by the recently found nonequilibrium Ornstein-Zernike relation, which relates the memory functions to measurable correlation functions, such as the van Hove correlation function.While the motivation of the proposal is deeply routed in theoretical physics, on a methodological level, we primarily intend to carry out Brownian Dynamics computer simulations. The quantities that we aim to calculate possess direct relevance for the power functional theory, such as the current-density and current-current two-body correlation functions. The project aims at obtaining a systematic understanding of the memory effects in liquids, which is a necessary step on the route towards constructing usable and robust approximation for the power functional that describe superadiabatic forces. Having such approximations will permit to study a broad range of interesting and relevant inhomogeneous and driven colloidal systems in the future.

项目成果

期刊论文数量(8)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
Better Than Counting: Density Profiles from Force Sampling.
比计数更好:强制采样的密度分布
  • DOI:
    10.1103/physrevlett.120.218001
  • 发表时间:
    2018
  • 期刊:
  • 影响因子:
    8.6
  • 作者:
    Daniel de las Heras;Matthias Schmidt
  • 通讯作者:
    Matthias Schmidt
Structural Nonequilibrium Forces in Driven Colloidal Systems.
驱动胶体系统中的结构非平衡力
  • DOI:
    10.1103/physrevlett.121.098002
  • 发表时间:
    2018
  • 期刊:
  • 影响因子:
    8.6
  • 作者:
    Nico C. X. Stuhlmüller;Tobias Eckert;Daniel de las Heras;Matthias Schmidt
  • 通讯作者:
    Matthias Schmidt
Memory-induced motion reversal in Brownian liquids.
布朗液体中记忆引起的运动逆转
  • DOI:
    10.1039/c9sm02005e
  • 发表时间:
    2020
  • 期刊:
  • 影响因子:
    3.4
  • 作者:
    Lucas L. Treffenstädt;Matthias Schmidt
  • 通讯作者:
    Matthias Schmidt
Custom flow in overdamped Brownian dynamics.
过阻尼布朗动力学中的自定义流动
  • DOI:
    10.1103/physreve.99.023306
  • 发表时间:
    2019
  • 期刊:
  • 影响因子:
    0
  • 作者:
    Daniel de las Heras;Johannes Renner;Matthias Schmidt
  • 通讯作者:
    Matthias Schmidt
Superadiabatic demixing in nonequilibrium colloids
  • DOI:
    10.1038/s42005-020-0287-5
  • 发表时间:
    2020-01-24
  • 期刊:
  • 影响因子:
    5.5
  • 作者:
    Geigenfeind, Thomas;de las Heras, Daniel;Schmidt, Matthias
  • 通讯作者:
    Schmidt, Matthias
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Professor Dr. Matthias Schmidt其他文献

Professor Dr. Matthias Schmidt的其他文献

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{{ truncateString('Professor Dr. Matthias Schmidt', 18)}}的其他基金

Human-Made Disaster at Lake Urmia (Iran)
乌尔米亚湖的人为灾难(伊朗)
  • 批准号:
    421574050
  • 财政年份:
    2019
  • 资助金额:
    --
  • 项目类别:
    Research Grants
Ethnic Gentrification? - Zur Rolle aufstiegsorientierter Migranten bei der Aufwertung innenstadtnaher Altbauquartiere
民族士绅化?
  • 批准号:
    205981743
  • 财政年份:
    2011
  • 资助金额:
    --
  • 项目类别:
    Research Grants

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基于ForCES的软件定义网络(SDN)研究
  • 批准号:
    61379120
  • 批准年份:
    2013
  • 资助金额:
    73.0 万元
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    面上项目
ForCES体系结构的流量特征分析及矩阵估算建模研究
  • 批准号:
    61102074
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    2011
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    25.0 万元
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    青年科学基金项目
ForCES传输映射层(TML)关键技术问题研究
  • 批准号:
    60903214
  • 批准年份:
    2009
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    18.0 万元
  • 项目类别:
    青年科学基金项目
转发件和控制件分离(ForCES)网络体系结构及关键技术研究
  • 批准号:
    60573116
  • 批准年份:
    2005
  • 资助金额:
    24.0 万元
  • 项目类别:
    面上项目

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Identifying the role of dynamic ECM-derived forces in zebrafish semicircular canal morphogenesis
识别动态 ECM 衍生力在斑马鱼半规管形态发生中的作用
  • 批准号:
    10547914
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Identifying the role of dynamic ECM-derived forces in zebrafish semicircular canal morphogenesis
识别动态 ECM 衍生力在斑马鱼半规管形态发生中的作用
  • 批准号:
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Identifying the role of dynamic ECM-derived forces in zebrafish semicircular canal morphogenesis
识别动态 ECM 衍生力在斑马鱼半规管形态发生中的作用
  • 批准号:
    10553276
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    --
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Engineering a 'shape-memory alloy'-based culture platform to study the effect of dynamic developmental forces on pancreas organogenesis in vitro
设计基于“形状记忆合金”的培养平台,研究动态发育力对体外胰腺器官发生的影响
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Identifying the role of dynamic ECM-derived forces in zebrafish semicircular canal morphogenesis
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Engineering a 'shape-memory alloy'-based culture platform to study the effect of dynamic developmental forces on pancreas organogenesis in vitro
设计基于“形状记忆合金”的培养平台,研究动态发育力对体外胰腺器官发生的影响
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合作研究:利用光学回音壁模式共振力动态控制和分离流体中的微粒
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Collaborative Research/RUI: Dynamic Control and Separation of Microparticles in Fluids using Optical Whispering Gallery Mode Resonant Forces
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