排序方式: 共有15条查询结果,搜索用时 0 毫秒
1.
2.
We suggest a new set of equations to employ smoothed particle hydrodynamics (SPH) in a curvilinear space, and we refer to it as curvSPH. In classical SPH, the horizontal and vertical resolution of discretization is supposed to be equal for fluid particles. However, curvSPH makes the horizontal and vertical resolutions independent from each other. This is performed by transformation of physical space into an appropriate computational space with a different scale in horizontal and vertical directions. Solving a problem using SPH in a curvilinear space also provides capability to model curved boundaries as straight lines. In classical SPH, special care is needed to reach a uniform mass distribution along curved boundaries; however, producing uniform mass distribution along a line using curvSPH is straight forward. Different simulations, including simulation of a flip bucket are performed to demonstrate the applicability of the proposed method. Good agreement of results with experimental data and classical SPH confirms the capabilities of curvSPH. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献
3.
On the second law of thermodynamics: The significance of coarse-graining and the role of decoherence
We take up the question why the initial entropy in the universe was small, in the context of evolution of the entropy of a classical system. We note that coarse-graining is an important aspect of entropy evaluation which can reverse the direction of the increase in entropy, i.e., the direction of thermodynamic arrow of time. Then we investigate the role of decoherence in the selection of coarse-graining and explain how to compute entropy for a decohered classical system. Finally, we argue that the requirement of low initial entropy imposes constraints on the decoherence process. 相似文献
4.
Khanpour M 《The Journal of chemical physics》2012,136(4):047101
We would like to show that what has been presented in the paper by Kim, Kim, and Seong [J. Chem. Phys, 135, 034505 (2011)] is nothing but an unnecessarily complicated version of (optimized) random phase approximation. 相似文献
5.
Dr. Mojtaba Khanpour Wen-Zhou Deng Dr. Zhi-Bin Fang Yu-Lin Li Dr. Qi Yin An-An Zhang Dr. Farzaneh Rouhani Prof. Ali Morsali Prof. Tian-Fu Liu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(42):10957-10965
Porous materials have been investigated as efficient photochromic platforms for detecting hazardous radiation, while the utilization of hydrogen bonded organic frameworks (HOFs) in this field has remained intact. Herein, two HOFs were synthesized through self-assembly of tetratopic viologen ligand and formic acid (PFC-25, PFC-26), as a new class of “all-organic” radiochromic smart material, opening a gate for HOFs in this field. PFC-26 is active upon both X-ray and UV irradiation, while PFC-25 is only active upon X-ray irradiation. The same building block yet different radiochromic behaviors of PFC-25 and PFC-26 allow us to gain a deep mechanistic understanding of the factors that control the detection specificity. Theoretical and experimental studies reveal that the degree of π-conjugation of viologen ligand is highly related to the threshold energy of triggering a charge transfer, therefore being a vital factor for the particularity of radiochromic materials. Thanks to its convenient processibility, nanoparticle size, and UV silence, PFC-25 can be further fabricated into a portable naked-eye sensor for X-ray detection, which shows obvious color change with the merits of high transmittance contrast, good sensitivity (reproducible dose threshold of 3.5 Gy), and excellent stability. The work exhibits the promising practical potentials of HOF materials in photochromic technology. 相似文献
6.
Straw-like nano-structure of a new mixed-ligand Zn(II) two-dimensional coordination polymer, {[Zn(μ-4,4′-bipy)(μ-3-bpdb)(H2O)2](ClO4)2·4,4′-bipy·3-bpdb·H2O}n (1) {4,4′-bipy = 4,4′-bipyridine and 3-bpdb = 1,4-bis(3-pyridyl)-2,3-diaza-1,3-butadiene}, was synthesized by a sonochemical method. The new nano-structure was characterised by scanning electron microscopy, X-ray powder diffraction, IR spectroscopy and elemental analyses. Compound 1 was structurally characterised by single crystal X-ray diffraction and consists of two-dimensional polymeric units. ZnO nanoparticles were obtained by calcination of compound 1 at 500 °C under air atmosphere and were characterised by X-ray diffraction (XRD) and scanning electron microscopy (SEM). 相似文献
7.
Ali N. Khorramian S. Atashbar Tehrani H. Khanpour S. Taheri Monfared 《Hyperfine Interactions》2009,194(1-3):337-340
We present the results of the Next-to-leading order (NLO) non-singlet QCD analysis of the experimental data of the CCFR collaboration for the xF 3 structure function of the deep-inelastic scattering of neutrinos on the nucleon in based on the associated Jacobi polynomials expansion of the structure functions. The structure function is reconstructed from its moments by using the expansion in terms of orthogonal associated Jacobi polynomials. Our results of valence quark distributions are in good agreement with the available theoretical models. 相似文献
8.
Using a general expression for the second term in the density expansion of the hard core potentials, we obtained an analytical expression for the direct correlation function of the hard core double Yukawa potential. The results of this calculation using the proposed direct correlation function and its related radial distribution function through the Ornstein-Zernike equation show good agreements with those obtained by the computer simulation of the same model. 相似文献
9.
Utilizing very recent deep inelastic scattering measurements, a QCD analysis of proton structure function ${F_{2}^{p} (x,Q^2)}$ is presented. A wide range of the inclusive neutral-current deep-inelastic-scattering (NC DIS) data used in order to extract an updated set of parton distribution functions (PDFs). The HERA ‘combined’ data set on ${\sigma_{r,NC}^\pm (x,Q^2)}$ together with all available published data for heavy quarks ${F_2^{c,b}(x,Q^2)}$ , longitudinal F L (x, Q 2) and also very recent reduced DIS cross section ${\sigma_{r,NC}^\pm (x,Q^2)}$ data from HERA experiments are the input in the present next-to-leading order (NLO) QCD analysis which determines a new set of parton distributions, called ${{\tt KKT11C}}$ . The extracted PDFs in the ‘fixed flavour number scheme’ (FFNS) are in very good agreement with the available theoretical models. 相似文献
10.
Mehrdad Khanpour 《Molecular physics》2013,111(12):1561-1567
Using second-order Barker–Henderson perturbation theory we are able to derive an explicit expression for the direct correlation function of fluids with hard core potentials. Using the obtained direct correlation function, one can explicitly calculate all thermodynamic properties of simple fluids with hard core potentials. Comparisons with computer simulation data show good agreement for both thermodynamic properties and the static structure factor of the hard core double Yukawa potential. 相似文献