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The role of the dissipative and random forces in the calculation of the pressure of simple fluids with dissipative particle dynamics

機(jī)譯:耗散和隨機(jī)力在計(jì)算中的作用 ??具有耗散粒子動(dòng)力學(xué)的簡(jiǎn)單流體壓力

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摘要

The role of viscous forces coupled with Brownian forces in momentumconserving computer simulations is studied here in the context of theircontribution to the total average pressure of a simple fluid as derived fromthe virial theorem, in comparison with the contribution of the conservativeforce to the total pressure. The specific mesoscopic model used is the oneknown as dissipative particle dynamics, although our conclusions apply tosimilar models that obey the fluctuation dissipation theorem for short rangeinteractions and have velocity dependent viscous forces. We find that theaverage contribution of the random and dissipative forces to the pressure isnegligible for long simulations, provided these forces are appropriatelycoupled and when the finite time step used in the integration of the equationof motion is not too small. Finally, we study the properties of the fluid whenthe random force is made equal to zero and find that the system freezes as aresult of the competition of the dissipative and conservative forces.
機(jī)譯:本文結(jié)合粘性力和布朗力在動(dòng)量守恒計(jì)算機(jī)模擬中的作用進(jìn)行了研究,對(duì)比了保守力對(duì)總壓力的貢獻(xiàn),它們是根據(jù)病毒定理推導(dǎo)的簡(jiǎn)單流體總平均壓力的貢獻(xiàn)。盡管我們的結(jié)論適用于服從短程相互作用的波動(dòng)耗散定理并具有與速度有關(guān)的粘性力的類(lèi)似模型,但使用的特定介觀模型稱(chēng)為耗散粒子動(dòng)力學(xué)。我們發(fā)現(xiàn),對(duì)于長(zhǎng)時(shí)間的模擬,隨機(jī)力和耗散力對(duì)壓力的平均貢獻(xiàn)是微不足道的,前提是這些力適當(dāng)?shù)伛詈喜⑶以诜e分運(yùn)動(dòng)方程時(shí)使用的有限時(shí)間步幅不太小時(shí)。最后,我們研究了當(dāng)隨機(jī)力等于零時(shí)流體的性質(zhì),并發(fā)現(xiàn)系統(tǒng)由于耗散力和保守力的競(jìng)爭(zhēng)而凍結(jié)。

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