A Calculation Method of Excluded Volume of Convex Core-Shell Structure
A technique for volume calculation and structure, applied in the field of microscopic theory and numerical experiments of discrete media
Active Publication Date: 2020-07-14
HOHAI UNIV
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[0004] Purpose of the invention: Aiming at the problems existing in the existing exclusion volume calculation method, the present invention provides a calculation method for the exclusion volume of a convex core-shell structure, which gets rid of the previous technical constraints and numerical simulation efficiency that can only be theoretically studied on simple spherical particles The low problem makes the calculation method of the excluded volume of the convex core-shell structure more general and representative
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[0050] The technical solution of the present invention will be further described below in conjunction with the accompanying drawings.
[0051] Such as figure 1 , a method for calculating the excluded volume of a convex core-shell structure of the present invention, comprising the steps of:
[0052] Step 1: Determine the particle geometry model of the nucleus, and use the equivalent diameter to define the particle size of the nucleus;
[0053] Step 2: Calculate the average tangent diameter of the particles of the nucleus; according to the stereological principle and the particle type of the nucleus distinguished in step 1, adopt different formulas to calculate the average tangent diameter of the particles of the nucleus;
[0054] Step 3: Calculate the volume of the convex core-shell structure according to the average particle tangent diameter of the core obtained in step 2;
[0055] Step 4: Calculate the surface area of the convex core-shell structure; by taking the first d...
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The invention discloses a calculation method for exclusion volume of a convex core-shell structure body. The method comprises the following steps of determining a particle geometric model of a core, and defining the sizes of particles of the core by adopting an equivalent diameter; calculating a particle mean caliper diameter of the core; calculating the volume of the convex core-shell structure body; calculating a surface area of the convex core-shell structure body; calculating a mean caliper diameter of the convex core-shell structure body; and calculating the exclusion volume of the convexcore-shell structure body. The method can accurately calculate the exclusion volume of the convex core-shell structure body with core particle types of ellipsoids, spherical cylinders and regular polyhedrons, gets rid of a technical constraint that a conventional theoretical method only aims at simple spherical particles, and solves the problems that a numerical simulation method can perform study only for specific particles and is low in efficiency and difficult in simulation precision guarantee, so that the calculation method for the exclusion volume of the convex core-shell structure bodyis more universal and representative.
Description
technical field [0001] The invention relates to a method for calculating the repelling volume of a convex core-shell structure, and belongs to the technical field of microcosmic theory and numerical experiment of discrete media. Background technique [0002] The exclusion volume refers to the space that other particles in the space cannot occupy after a hard core particle occupies a certain space. This concept was proposed by Werner Kuhn in 1934, and he himself did a lot of groundbreaking basic work. At the same time, many theoretical works have confirmed that there is a quantitative relationship between the physical properties of materials such as the percolation threshold, the packing density of particles, and the exclusion volume of particles. The current research and discussion on spherical particles has been relatively sufficient. For example, the repelling volume of monodisperse hard spheres is 8 times its own volume, and its packing density has been confirmed in theo...
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IPC IPC(8): G06F30/20
CPCG06F30/20
Inventor 许文祥兰鹏贾明坤章东洋吴杨
Owner HOHAI UNIV