Thermostat with a local heat-bath coupling for exact energy conservation in dissipative particle dynamics.
Thermostat with a local heat-bath coupling for exact energy conservation in dissipative particle dynamics.
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DOI：
10.1103/physreve.73.037701
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发表时间：
2006-03
期刊：
影响因子：
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通讯作者：
L. Pastewka;D. Kauzlaric;A. Greiner;J. Korvink
中科院分区：
文献类型：
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作者：
L. Pastewka;D. Kauzlaric;A. Greiner;J. Korvink
我们提出了一个马尔可夫过程，它以守恒的前三个动量来模拟粒子流体动力学。这是通过扩展[Peters， Europhys]来实现的。leet . 66, 311(2004)]和[Lowe， Europhys.]环境科学学报，1997,15(1999)]。给出了能量守恒的耗散粒子动力学与能量守恒法在时间步长消失极限下的等价性。简单的数值实验清楚地证明了方法的适用性。这克服了目前DPDE在（N，V，E）系综中复杂流体研究中的局限性。
We present a Markov process which models particle hydrodynamics with conservation of the first three momenta. This is achieved by extending the [Peters, Europhys. Lett. 66, 311 (2004)] and [Lowe, Europhys. Lett. 47, 145 (1999)] method to incorporate energy conservation. The equivalence of the energy conserving Peters method and dissipative particle dynamics with energy conservation (DPDE) in the limit of a vanishing time step is shown. Simple numerical experiments clearly demonstrate the applicability of the methods. This overcomes current limitations of DPDE in the study of complex fluids in the (N,V,E) ensemble.