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Whether the hydraulic conductivity representative elementary volume (KREV) exists is a fundamental question for understanding the hydraulic behavior of fractured rock masses. The fracture density and size of rocks vary greatly, and are the two most important parameters affecting the existence of a KREV. The International Society for Rock Mechanics (ISRM) presented quantitative descriptions of fracture persistence and density, dividing the persistence into 5 rates and the density into 7 rates, defining 35 basic types of isotropic fractured rock masses with different persistence and densities. Based on ISRM classification suggestions, we construct an additional 40 anisotropic fractured rocks and conduct a systematic investigation of the KREVs of all 75 rock types. The 3D DFNs of the 75 rocks are established with the Monte Carlo method; the water flow in the DFNs is simulated with the finite difference method; the equivalent conductivities of each rock are calculated in 10 domain sizes and 21 different flow directions; and the optimum conductivity ellipsoid and the fitting errors of the equivalent directional conductivity vectors are analyzed to determine the existence and size of the KREVs. A KREV is more likely to exist in rock masses with a high fracture density and persistence. The effect of fracture density and persistence can be comprehensively represented by blockiness, defined as the ratio of the volume of isolated blocks formed by fractures to the total rock volume. A strong correlation is found between the blockiness and the existence of a KREV. A KREV always exists when the blockiness is higher than 0.5%, and its size is between 2 and 18 times the fracture spacing. A KREV may or may not exist in the range of 0.1% < B < 0.5%. When B < 0.1%, a KREV does not exist. [ABSTRACT FROM AUTHOR]

In this work we present an efficient implementation of Canonical Monte Carlo simulation for Coulomb many body systems on graphics processing units (GPU). Our method takes advantage of the GPU Single Instruction, Multiple Data (SIMD) architectures, and adopts the sequential updating scheme of Metropolis algorithm. It makes no approximation in the computation of energy, and reaches a remarkable 440-fold speedup, compared with the serial implementation on CPU. We further use this method to simulate primitive model electrolytes, and measure very precisely all ion–ion pair correlation functions at high concentrations. From these data, we extract the renormalized Debye length, renormalized valences of constituent ions, and renormalized dielectric constants. These results demonstrate unequivocally physics beyond the classical Poisson–Boltzmann theory. [ABSTRACT FROM AUTHOR]

Debye charging method is generalized to study the linear response properties of the asymmetric primitive model for electrolytes. Analytic results are obtained for the effective charge distributions of constituent ions inside the electrolyte, from which all static linear response properties of the system follow. It is found that, as the ion density increases, both the screening length and the dielectric constant receive substantial renormalization due to ionic correlations. Furthermore, the valence of larger ion is substantially renormalized upward by ionic correlations, while those of smaller ions remain approximately the same. For sufficiently high density, the system exhibits charge oscillations. The threshold ion density for charge oscillation is much lower than the corresponding values for symmetric electrolytes. Our results agree well with large-scale Monte Carlo simulations, and find good agreement in general, except for the case of small ion sizes ( $$d = 4\,\AA $$ ) near the charge oscillation threshold. [ABSTRACT FROM AUTHOR]