DAMASK - The Dusseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single crystal up to the component scale
DAMASK - The Dusseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single crystal up to the component scale
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DOI：
10.1016/j.commatsci.2018.04.030
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发表时间：
2019-02-15
影响因子：
3.3
通讯作者：
Raabe, D.
中科院分区：
文献类型：
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作者：
Roters, F.;Diehl, M.;Raabe, D.
晶体塑性 (CP) 建模是一种强大且完善的计算材料科学工具，用于研究晶体材料的机械结构-性能关系。它已成功应用于研究各种微机械现象，从单晶的应变硬化到多晶聚集体的织构演变。然而，当考虑现代合金日益复杂的微观结构成分及其经常暴露在恶劣的环境条件下时，材料建模的重点已转向将过程历史和环境因素的更多本构和内部变量细节纳入这些结构-性能关系中。增强CP模型在技术上的重要应用领域包括相变、氢脆、辐照损伤、断裂和再结晶。已经开发了许多包含 CP 方法的多物理扩展的利基工具来解决这些主题。虽然从科学的角度来看，此类实现非常有用，但它们是针对特定应用程序而设计的，需要付出大量努力才能将它们扩展为适用于一般最终用户社区的灵活的多用途工具。因此，通过杜塞尔多夫先进材料模拟套件 (DAMASK)，我们致力于为科学界提供开放、灵活且易于使用的实现方式，该实现方式高度模块化，允许使用和直接实现不同类型的本构定律和数值求解器。 DAMASK 的内部模块化结构直接遵循所采用的连续统描述固有的层次结构。最高层处理材料点上规定的场值在其底层微观结构成分之间的划分以及随后每个成分的本构响应的均质化。每个微观结构成分的响应是在中间水平上根据弹性、塑性、损伤、相变和发热以及其他感兴趣的耦合多物理过程的基本本构定律的时间积分来确定的。可以实施基于不断变化的内部状态变量的各种本构定律，以在最低级别提供这种响应。 DAMASK 已包含各种基于 CP 的模型来描述金属塑性，以及本构模型以纳入附加效应，例如热量产生和传递、损伤演化和无热转变。此外，其模块化设计本质上考虑了附加本构定律和均质化方案的实施，以及各种合适的边界和初始值问题求解器的集成。
Crystal Plasticity (CP) modeling is a powerful and well established computational materials science tool to investigate mechanical structure-property relations in crystalline materials. It has been successfully applied to study diverse micromechanical phenomena ranging from strain hardening in single crystals to texture evolution in polycrystalline aggregates. However, when considering the increasingly complex microstructural composition of modern alloys and their exposure to-often harsh-environmental conditions, the focus in materials modeling has shifted towards incorporating more constitutive and internal variable details of the process history and environmental factors into these structure-property relations. Technologically important fields of application of enhanced CP models include phase transformations, hydrogen embrittlement, irradiation damage, fracture, and recrystallization. A number of niche tools, containing multi-physics extensions of the CP method, have been developed to address such topics. Such implementations, while being very useful from a scientific standpoint, are, however, designed for specific applications and substantial efforts are required to extend them into flexible multi-purpose tools for a general end-user community. With the Dusseldorf Advanced Material Simulation Kit (DAMASK) we, therefore, undertake the effort to provide an open, flexible, and easy to use implementation to the scientific community that is highly modular and allows the use and straightforward implementation of different types of constitutive laws and numerical solvers. The internal modular structure of DAMASK follows directly from the hierarchy inherent to the employed continuum description. The highest level handles the partitioning of the prescribed field values on a material point between its underlying microstructural constituents and the subsequent homogenization of the constitutive response of each constituent. The response of each microstructural constituent is determined, at the intermediate level, from the time integration of the underlying constitutive laws for elasticity, plasticity, damage, phase transformation, and heat generation among other coupled multi-physical processes of interest. Various constitutive laws based on evolving internal state variables can be implemented to provide this response at the lowest level. DAMASK already contains various CP-based models to describe metal plasticity as well as constitutive models to incorporate additional effects such as heat production and transfer, damage evolution, and athermal transformations. Furthermore, the implementation of additional constitutive laws and homogenization schemes, as well as the integration of a wide class of suitable boundary and initial value problem solvers, is inherently considered in its modular design.