计算液态混合物内能和内压的统计热力学理论

假定二元液态混合物分子间的相互作用势能可以表示成多体相互作用势能的和 ,分子间的力为短程力 ,相互作用势能只与分子间的相对距离有关 .利用分布函数理论导出了二元液态混合物的过剩内能和内压的公式 .二元液态混合物的过剩内能和内压可以表示成体积的幂级数形式 ,其中的系数可以用多体相互作用势和多体径向分布函数表出 .讨论了单元液体的内压和过剩内能的表达式 ,在两种特殊情形下 ,过剩内能和内压的表达式分别与Egelstaff的微扰论结果及Frank的实验结果具有相同的形式 .讨论了二元混合物内压和内能的两个特例 ,其一 ,在特殊情形下 ,给出了混合液体过剩内能的混合规则的一个证明 .其二 ,给出的二元混合物的过剩内能和内压的表达式与Frank的实验结果具有相同的形式     

A segregated implicit solution algorithm for 2D and 3D laminar incompressible flows

A segregated algorithm for the solution of laminar incompressible, two- and three-dimensional flow problems is presented. This algorithm employs the successive solution of the momentum and continuity equations by means of a decoupled implicit solution method. The inversion of the coefficient matrix which is common for all momentum equations is carried out through an approximate factorization in upper and lower triangular matrices. The divergence-free velocity constraint is satisfied by formulating and solving a pressure correction equation. For the latter a combined application of a preconditioning technique and a Krylov subspace method is employed and proved more effecient than the approximate factorization method. The method exhibits a monotonic convergence, it is not costly in CPU time per iteration and provides accurate solutions which are independent of the underrelaxation parameter used in the momentum equations. Results are presented in two- and three-dimensional flow problems.     

Boundedness, global existence and continuous dependence for nonlinear dynamical systems describing physiologically structured populations

The paper is aimed as a contribution to the general theory of nonlinear infinite dimensional dynamical systems describing interacting physiologically structured populations. We carry out continuation of local solutions to maximal solutions in a functional analytic setting. For maximal solutions we establish global existence via exponential boundedness and by a contraction argument, adapted to derive uniform existence time. Moreover, within the setting of dual Banach spaces, we derive results on continuous dependence with respect to time and initial state.To achieve generality the paper is organized top down, in the way that we first treat abstract nonlinear dynamical systems under very few but rather strong hypotheses and thereafter work our way down towards verifiable assumptions in terms of more basic biological modelling ingredients that guarantee that the high level hypotheses hold.     

A novel far-boundary condition for the finite element analysis of infinite reservoir

The present paper deals with the finite element analysis of the reservoir of infinite extent using a novel far-boundary condition. The equations of motion are expressed in terms of the pressure only assuming water as inviscid and incompressible. The truncation boundary condition is developed numerically from the classical wave equation. Comparative studies show that the proposed far-boundary condition is numerically efficient and accurate over the existing ones, available in the literature. The effect of the geometry of the reservoir bed and the adjacent structure on the development hydrodynamic pressure has been studied. The results show that the geometry of the reservoir bed and as well as the adjacent structure has considerable effect on the development of hydrodynamic pressure at the dam–reservoir interface.     

高速水射流与凝聚炸药相互作用的数值模拟

 利用LS-DYNA3D软件并采用Lagrange算法，对500 m/s的高速水射流与凝聚炸药的相互作用过程进行了数值模拟；对不同时刻凝聚炸药中的压力分布以及不同径向、轴向处的压力历史进行了分析；确定了所选凝聚炸药的声速。数值模拟的结果与理论分析的结果之间具有很好的一致性。模拟结果表明，在高速水射流与凝聚炸药相互作用的过程中，凝聚炸药药柱截面上的压力随径向距离的增加而降低；药柱中的最大压力出现在水射流头部附近或水射流头部的前方。     

Determination of the orientation distribution function of anisotropic paramagnetic species from the angular dependence of the ESR spectra

A method for determination of the orientation distribution function of anisotropic paramagnetic species from the angular dependence of the ESR spectra based on simulation of the spectra was developed. The orientation distribution function is represented as a sum of orthonormal functions. The weight coefficients are determined by minimizing the deviations of the theoretical spectra from experimental ones. The method was numerically tested. The method is relatively insensitive to the presence of noise and foreign ESR signals not related to the sample orientation in the magnetic field.__________Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 12, pp. 2595–2601, December, 2004.     

High-pressure clathrate hydrate of acetone

X-ray diffraction study of quenched sample of acetone clathrate hydrate synthesized at 0.8 GPa was carried out. It was shown that the host frameworks of the hydrate comprise uniform cavities which are similar to that of recently characterized structure of high-pressure tetrahydrofurane hydrate. The unique peculiarity of investigated hydrate is decrease in the crystallographic symmetry of the hydrate arising from ordering in guest subsystem.     

Angular response of CR-39 to relativistic heavy ions and high-energy protons

Track etch detectors CR-39 irradiated with relativistic heavy ions (C, Ne, Si and Fe, ) and high-energy protons (35–230 MeV) were etched both chemically and electrochemically. To determine an angular dependence of response in detail (step 1), an arrangement of a single detector bent into a semi-cylindrical form was used. Experimental data were fitted by polynomic functions and the detection efficiencies for isotropic irradiation were calculated. Critical angles of registration were also determined for heavy ions. The possible influence of additional absorbers and radiators was also estimated.     

Model for phase coexistence in phase transitions

We propose a general model for describing the phenomena of phase coexistence in relation to pressure induced phase transformations by means of the T–P distribution in statistical thermodynamics. Using the well‐known B1–B2 transition in NaCl as a prototype, we demonstrate how phase coexistence gives rise to the changes in the bulk modulus and the equation‐of‐state across the transition. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004