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非对称流体临界状态的精确模拟。

Precise simulation of criticality in asymmetric fluids.

作者信息

Orkoulas G, Fisher M E, Panagiotopoulos A Z

机构信息

Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742-2431, USA.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2001 May;63(5 Pt 1):051507. doi: 10.1103/PhysRevE.63.051507. Epub 2001 Apr 26.

Abstract

Extensive grand canonical Monte Carlo simulations have been performed for the hard-core square-well fluid with interaction range b=1.5 sigma. The critical exponent for the correlation length has been estimated in an unbiased fashion as nu=0.63+/-0.03 via finite-size extrapolations of the extrema of properties measured along specially constructed, asymptotically critical loci that represent pseudosymmetry axes. The subsequent location of the critical point achieves a precision of five parts in 10(4) for Tc and about 0.3% for the critical density rhoc. The effective exponents gamma+(eff) and beta(eff) indicate Ising-type critical-point values to within 2% and 5.6%, respectively, convincingly distinguishing the universality class from the "nearby" XY and n=0 (self-avoiding walk) classes. Simulations of the heat capacity CV(T,rho) and d2psigma/dT2, where psigma is the vapor pressure below Tc, suggest a negative but small Yang-Yang anomaly, i.e., a specific-heat-like divergence in the corresponding chemical potential derivative (d2 musigma/dT2) that requires a revision of the standard asymptotic scaling description of asymmetric fluids.

摘要

针对相互作用范围b = 1.5σ的硬核方阱流体进行了广泛的巨正则蒙特卡罗模拟。通过对沿着代表伪对称轴的特殊构造的渐近临界轨迹测量的性质极值进行有限尺寸外推,以无偏方式估计关联长度的临界指数为ν = 0.63±0.03。随后,临界点的位置对于Tc达到了10^4分之五的精度,对于临界密度ρc达到了约0.3%的精度。有效指数γ+(eff)和β(eff)分别在2%和5.6%的范围内表明了伊辛型临界点值,令人信服地将该普适类与“附近”的XY类和n = 0(自回避行走)类区分开来。对热容量CV(T,ρ)和d2psigma/dT2的模拟,其中psigma是低于Tc的蒸气压,表明存在负但小的杨-杨异常,即在相应化学势导数(d2musigma/dT2)中存在类似比热的发散,这需要对非对称流体的标准渐近标度描述进行修正。

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