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Enhancing the understanding of entropy through computation

机译:通过计算增强对熵的理解

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摘要

We devise a hierarchy of computational algorithms to enumerate themicrostates of a system comprising N independent, distinguishable particles. Animportant challenge is to cope with integers that increase exponentially withsystem size, and which very quickly become too large to be addressed by thecomputer. A related problem is that the computational time for the most obviousbrute-force method scales exponentially with the system size which makes itdifficult to study the system in the large N limit. Our methods address theseissues in a systematic and hierarchical manner. Our methods are very generaland applicable to a wide class of problems such as harmonic oscillators, freeparticles, spin J particles, etc. and a range of other models for which thereare no analytical solutions, for example, a system with single particle energyspectrum given by {\epsilon}(p,q) = {\epsilon}0 (p^2 + q^4), where p and q arenon-negative integers and so on. Working within the microcanonical ensemble,our methods enable one to directly monitor the approach to the thermodynamiclimit (N \rightarrow \infty), and in so doing, the equivalence with thecanonical ensemble is made more manifest. Various thermodynamic quantities as afunction of N may be computed using our methods; in this paper, we focus on theentropy, the chemical potential and the temperature.
机译:我们设计了计算算法的层次结构来枚举包含N个独立的,可区分的粒子的系统的微状态。一个重要的挑战是要处理随系统大小呈指数增长的整数,并且整数很快变得太大而无法由计算机处理。一个相关的问题是,最明显的强力方法的计算时间与系统大小成指数比例增长,这使得在大N极限下研究系统变得困难。我们的方法以系统和分层的方式解决这些问题。我们的方法非常通用,适用于广泛的问题,例如谐波振荡器,自由粒子,自旋J粒子等,以及其他许多没有解析解的模型,例如,具有{ \ epsilon}(p,q)= {\ epsilon} 0(p ^ 2 + q ^ 4),其中p和q是非负整数,依此类推。在微规范集合中工作,我们的方法使人们能够直接监视达到热力学极限的方法(N \ rightarrow \ infty),从而使与规范集合的等效性更加明显。可以使用我们的方法来计算作为N的函数的各种热力学量。在本文中,我们关注熵,化学势和温度。

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