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Material computing framework, method and system and computer equipment

A computing framework and framework technology, applied in the field of materials science, can solve problems such as single computing mode of material computing platform, inability to perform full-link computing of multi-scale computing software, and small computing scale

Pending Publication Date: 2021-04-20
HUNAN UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

[0003] The existing material calculation platform has a single calculation mode and a small calculation scale
Moreover, the existing material calculations are often limited to the calculation software of the same scale, and the software between different scales cannot be coupled. The material calculation process needs to rely on manual complex configuration of the calculation software, and it is impossible to automatically perform multi-scale calculation software. Full Link Computing

Method used

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  • Material computing framework, method and system and computer equipment
  • Material computing framework, method and system and computer equipment
  • Material computing framework, method and system and computer equipment

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Embodiment Construction

[0041] In order to make the purpose, technical solutions and advantages of the embodiments of the present invention clearer, the technical solutions in the embodiments of the present invention will be clearly and completely described below in conjunction with the drawings in the embodiments of the present invention. Obviously, the described embodiments It is a part of embodiments of the present invention, but not all embodiments. The components of the embodiments of the invention generally described and illustrated in the figures herein may be arranged and designed in a variety of different configurations.

[0042] Accordingly, the following detailed description of the embodiments of the invention provided in the accompanying drawings is not intended to limit the scope of the claimed invention, but merely represents selected embodiments of the invention. Based on the embodiments of the present invention, all other embodiments obtained by persons of ordinary skill in the art wi...

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Abstract

The embodiment of the invention provides a material calculation framework, method and system and computer equipment, and relates to the field of material science. The frame comprises a material design module and a simulation module. The material design module is used for modeling the received target material to obtain a material model; the simulation module comprises a microscopic simulation module, a mesoscopic simulation module and a macroscopic simulation module; the microcosmic simulation module is used for carrying out simulation calculation on the microcosmic performance of the material model to obtain microcosmic performance parameters; the mesoscopic simulation module is used for performing simulation calculation on mesoscopic performance of the material model to obtain mesoscopic performance parameters; and the macroscopic simulation module is used for carrying out simulation calculation on the macroscopic performance of the material model to obtain macroscopic performance parameters. Based on a material calculation framework, material calculation of properties of a target material under different scales is realized, so that the calculation efficiency of material development is improved, and the material development period is effectively shortened.

Description

technical field [0001] The invention relates to the field of material science, in particular to a material calculation framework, method, system and computer equipment. Background technique [0002] The development and production of new materials has become one of the restrictive factors for the rapid development of a country's industrialization. With the gradual integration of e-Science, e-Research and other methods into scientific research activities, through the application of information methods, a large number of calculation and simulation software for new materials have sprung up. and data mining to develop new materials. [0003] The existing material calculation platform has a single calculation mode and a small calculation scale. Moreover, the existing material calculations are often limited to the calculation software of the same scale, and the software between different scales cannot be coupled. The material calculation process needs to rely on manual complex co...

Claims

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Application Information

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IPC IPC(8): G06F30/20G06F113/26
Inventor 马亿旿付云虹白树仁
Owner HUNAN UNIV
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