Abstract Texture plays an important role in mechanical properties of polycrystalline solids but is rarely characterized or designed in atomic configurations. Here we present ACAT, a graphics-processing-unit (GPU)-accelerated parallel code for constructing ultralarge Atomic Configurations with Arbitrary Texture. The numbers of atoms and grains can reach billion and 1000 levels, respectively, and textures can be experimental or synthetic ones. Benchmarks are presented to demonstrate the capability of ACAT to run on a single or multiple computation nodes. As applications cases, we construct atomic configurations of representative metals with representative textures.

中文翻译：

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ACAT：用于构建具有任意纹理的超大原子配置的 GPU 加速并行代码

摘要 纹理在多晶固体的机械性能中起着重要作用，但很少以原子构型进行表征或设计。在这里，我们介绍了 ACAT，这是一种图形处理单元 (GPU) 加速的并行代码，用于构建具有任意纹理的超大原子配置。原子和晶粒的数量可以分别达到十亿和千级，纹理可以是实验的或合成的。基准测试用于演示 ACAT 在单个或多个计算节点上运行的能力。作为应用案例，我们构建具有代表性纹理的代表性金属的原子配置。