Crystalline materials, such as metals and semiconductors, nearly always
contain a special defect type called dislocation. This defect decisively
determines many important material properties, e.g., strength, fracture
toughness, or ductility. Over the past years, significant effort has been put
into understanding dislocation behavior across different length scales via
experimental characterization techniques and simulations. This paper introduces
the dislocation ontology (DISO), which defines the concepts and relationships
related to linear defects in crystalline materials. We developed DISO using a
top-down approach in which we start defining the most general concepts in the
dislocation domain and subsequent specialization of them. DISO is published
through a persistent URL following W3C best practices for publishing Linked
Data. Two potential use cases for DISO are presented to illustrate its
usefulness in the dislocation dynamics domain. The evaluation of the ontology
is performed in two directions, evaluating the success of the ontology in
modeling a real-world domain and the richness of the ontology.

通过实验表征技术和模拟方法，本文引入了针对晶体材料中线性缺陷的概念和关系的缺陷本体论（DISO）。DISO 采用自上而下的方法进行开发，从定义线性缺陷领域中最通用的概念开始，并对其进行进一步的细化。使用 W3C 最佳实践发布连接数据的持久 URL 发布了 DISO。通过两个潜在的用例来说明 DISO 在缺陷动力学领域的实用性。对本体论的评估从两个方向进行，既评估本体论在建模现实领域方面的成功性，也评估本体论的丰富性。

DISO：用于建模晶体材料中位错的领域本体

DISO: A Domain Ontology for Modeling Dislocations in Crystalline  Materials

Research in the field of Materials Science and Engineering focuses on the
design, synthesis, properties, and performance of materials. An important class
of materials that is widely investigated are crystalline materials, including
metals and semiconductors. Crystalline material typically contains a distinct
type of defect called "dislocation". This defect significantly affects various
material properties, including strength, fracture toughness, and ductility.
Researchers have devoted a significant effort in recent years to understanding
dislocation behavior through experimental characterization techniques and
simulations, e.g., dislocation dynamics simulations. This paper presents how
data from dislocation dynamics simulations can be modeled using semantic web
technologies through annotating data with ontologies. We extend the already
existing Dislocation Ontology by adding missing concepts and aligning it with
two other domain-related ontologies (i.e., the Elementary Multi-perspective
Material Ontology and the Materials Design Ontology) allowing for representing
the dislocation simulation data efficiently. Moreover, we show a real-world use
case by representing the discrete dislocation dynamics data as a knowledge
graph (DisLocKG) that illustrates the relationship between them. We also
developed a SPARQL endpoint that brings extensive flexibility to query
DisLocKG.

材料科学与工程领域的研究主要集中在材料的设计、合成、性质和性能。晶体材料是一类被广泛研究的重要材料，包括金属和半导体。晶体材料通常包含一种名为 “位错” 的不同类型缺陷，该缺陷显著影响材料的诸多性质，包括强度、断裂韧性和延展性。最近，研究人员通过实验表征技术和模拟（如位错动力学模拟）致力于理解位错行为。本文介绍了如何利用语义 Web 技术通过本体对位错动力学模拟数据进行建模。我们通过添加缺失的概念并将其与两个相关本体（即基础多透视材料本体和材料设计本体）进行对齐，扩展了现有的位错本体，从而实现了对位错模拟数据的有效表示。此外，我们展示了一个实际应用案例，将离散位错动力学数据表示为知识图（DisLocKG），展示了它们之间的关系。我们还开发了一个 SPARQL 终端，为查询 DisLocKG 带来了极大的灵活性。