材料科学的在线模拟学习模块
Online simulation powered learning modules for materials science
摘要：
仿真工具在材料科学和工程中发挥着越来越重要的作用，除了在研究和开发中的重要性外，这些工具还具有重要的教学潜力。我们描述了一套在线模拟工具和学习模块，旨在帮助学生探索材料科学中的重要概念，在这些概念中，高保真模拟的动手活动可以提供不容易获得的洞察力。在线工具，其中涉及密度泛函理论和分子动力学模拟，已设计与非专家的最终用户的想法，只需要点击几下，以执行大多数模拟，但他们是由研究级的代码和专家用户可以访问高级选项。所有工具和模块都可在nanoHUB.org上进行在线模拟，访问是免费的。重要的是，教师和学生不需要下载或安装任何软件。学习模块涵盖了晶体和掺杂的电子结构，金属中的塑性形变和聚合物的物理性质等一系列主题。这些模块已在普渡大学材料工程学院的几门核心本科课程中使用，它们是独立的，并且很容易融入现有课程。
英文摘要：
Simulation tools are playing an increasingly important role in materials science and engineering and beyond their well established importance in research and development, these tools have a significant pedagogical potential. We describe a set of online simulation tools and learning modules designed to help students explore important concepts in materials science where hands-on activities with high-fidelity simulations can provide insight not easily acquired otherwise. The online tools, which involve density functional theory and molecular dynamics simulations, have been designed with non-expert end-users in mind and only a few clicks are required to perform most simulations, yet they are powered by research-grade codes and expert users can access advanced options. All tools and modules are available for online simulation in nanoHUB.org and access is open and free of charge. Importantly, instructors and students do not need to download or install any software. The learning modules cover a range of topics from electronic structure of crystals and doping, plastic deformation in metals, and physical properties of polymers. These modules have been used in several core undergraduate courses at Purdue's School of Materials Engineering, they are self contained, and are easy to incorporate into existing classes.
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