Dissipative split-charge formalism: Ohm's law, Nyquist noise, and non-contact friction.

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL
Martin H Müser
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引用次数: 0

Abstract

The split-charge equilibration method is extended to describe dissipative charge transfer similarly as the Drude model, whereby the complex-valued frequency-dependent dielectric permittivities or conductivities of dielectrics and metals can be mimicked at non-zero frequencies. To demonstrate its feasibility, a resistor-capacitor circuit is simulated using an all-atom representation for the resistor and capacitor. The dynamics reproduce the expected charging process and Nyquist noise, the latter resulting from the thermal voltages acting on individual split charges. The method bears promise to model friction caused by the motion of charged particles past metallic or highly polarizable media.

耗散分裂电荷形式主义:欧姆定律、奈奎斯特噪声和非接触摩擦。
分裂电荷平衡法被扩展用于描述耗散电荷转移,与德鲁德模型类似,可以在非零频率下模拟电介质和金属的随频率变化的复值介电常数或电导率。为了证明其可行性,我们使用电阻器和电容器的全原子表示法模拟了电阻器-电容器电路。其动态再现了预期的充电过程和奈奎斯特噪声,后者是由作用于单个分裂电荷的热电压引起的。该方法有望模拟带电粒子经过金属或高极化介质时产生的摩擦。
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来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
期刊介绍: The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance. Topical coverage includes: Theoretical Methods and Algorithms Advanced Experimental Techniques Atoms, Molecules, and Clusters Liquids, Glasses, and Crystals Surfaces, Interfaces, and Materials Polymers and Soft Matter Biological Molecules and Networks.
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