利用大规模并行SIMD平台模拟x射线衍射图样

V. Rosato, N. Pucello, F. Cardellini
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引用次数: 0

摘要

在PQE2000项目框架下开发的大规模并行SIMD平台上实现了粉末x射线衍射模式模拟代码。该代码允许评估完美有序和无序结构的原子尺度模型的衍射模式。应用程序研究了非混相金属偶(Ag-Cu)非平衡合金化过程中产生的结构。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Simulation of X-ray diffraction patterns using a massively parallel SIMD platform
A code for the simulation of X-ray diffraction pattern of a powder has been implemented on a massively parallel SIMD platform developed in the frame of the PQE2000 Project. The code allows the evaluation of the diffraction pattern of atomic-scale models of both perfectly ordered and disordered structures. The code has been used to investigate the structures resulting from the non-equilibrium alloying process of an immiscible metallic couple (Ag-Cu).
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