Computational physics with particles

Hoover, William G.; Hoover, Carol Griswold

doi:10.1119/1.2830538

Cited by 8 publications

(4 citation statements)

References 30 publications

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“…Rather than the microscopic dynamics of individual ions, we here focus on a macroscopic continuum model in the ergodic subspace of a microcanonical ensemble of a large number of ions. It is well known from computational physics that even for relatively small numbers of molecules, viz., a few dozen, a macroscopic model adequately describes the overall systems dynamics [53,54]. Our approach is justified by (1) the aforementioned high rate of ion transport, peaking to 2.5E9 ions/sec for ELIC; (2) the fast selection (>99%) and small length and timescales (Å and nanosec) involved in the selection process that are more characteristic for a physical than for a molecular-biological phenomenon [55][56][57]; and (3) the huge number of ion channels per individual cell, typically many tens of thousands [5,58].…”

Section: Ions As Fluid: From Discrete Events To a Continuum Modelmentioning

confidence: 99%

Resonance-driven ion transport and selectivity in prokaryotic ion channels

Westra

2019

Phys. Rev. E

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Section: Ions As Fluid: From Discrete Events To a Continuum Modelmentioning

confidence: 99%

Resonance-driven ion transport and selectivity in prokaryotic ion channels

Westra

2019

Phys. Rev. E

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“…The whole sample contains approximately 5.6 × 10 4 atoms. In the next step, to minimize stress in the atomic model, the temperature was held at 300 K using a Nose-Hoover thermostat [ 19 ]. Lastly, the simulations entered into the welding stage after full relaxation.…”

Section: Theoretical Methodsmentioning

confidence: 99%

Nanoscale Assembly of Copper Bearing-Sleeve via Cold-Welding: A Molecular Dynamics Study

Zhou

Xian

et al. 2018

Nanomaterials

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A bearing is an important component in contemporary machinery and equipment, whose main function is to support the mechanical rotator, reduce the friction coefficient during its movement, and guarantee the turning accuracy. However, assembly of a nanoscale bearing and sleeve is a challenging process for micro-nano mechanical manufacturers. Hence, we show the cold-welding mechanism of a copper nanobearing-nanosleeve via molecular dynamic simulations. We demonstrate that it is feasible to assemble a bearing and sleeve at the nanoscale to form a stable mechanism. The effect of temperature in the range of 150 to 750 K is investigated. As the temperature rises, the mechanical strength and the weld stress of the welded structures markedly decrease, accompanied by the observation of increasing disorder magnitude. This comparison study is believed to facilitate future mechanical processing and structural nano-assembly of metallic elements for better mechanical performance.

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“…The best known within this class of methods are finite element and finite-difference methods [1,2]. At the present time meshless algorithms for numerical solution of equations of continuum (particle-in-cell method [3], SPH [4,5], SPAM [6,7]) are widely developed and applied as well. Numerical methods belonging to continuum concept has been proven quite efficient in solving problems of deformation of complex heterogeneous media of various nature.…”

Section: Introductionmentioning

confidence: 99%

Development of a formalism of movable cellular automaton method for numerical modeling of fracture of heterogeneous elastic-plastic materials

Psakhie¹,

Shilko²,

Smolin³

et al. 2013

Frattura Ed Integrità Strutturale

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A general approach to realization of models of elasticity, plasticity and fracture of heterogeneous materials within the framework of particle-based numerical methods is proposed in the paper. It is based on building many-body forces of particle interaction, which provide response of particle ensemble correctly conforming to the response (including elastic-plastic behavior and fracture) of simulated solids. Implementation of proposed approach within particle-based methods is demonstrated by the example of the movable cellular automaton (MCA) method, which integrates the possibilities of particle-based discrete element method (DEM) and cellular automaton methods. Emergent advantages of the developed approach to formulation of manybody interaction are discussed. Main of them are its applicability to various realizations of the concept of discrete elements and a possibility to realize various rheological models (including elastic-plastic or visco-elasticplastic) and models of fracture to study deformation and fracture of solid-phase materials and media. Capabilities of particle-based modeling of heterogeneous solids are demonstrated by the problem of simulation of deformation and fracture of particle-reinforced metal-ceramic composites.

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Computational physics with particles

Cited by 8 publications

References 30 publications

Resonance-driven ion transport and selectivity in prokaryotic ion channels

Resonance-driven ion transport and selectivity in prokaryotic ion channels

Nanoscale Assembly of Copper Bearing-Sleeve via Cold-Welding: A Molecular Dynamics Study

Development of a formalism of movable cellular automaton method for numerical modeling of fracture of heterogeneous elastic-plastic materials

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