Computational materials science and engineering education: A survey of trends and needs

Results from a recent reassessment of the state of computational materials science and engineering (CMSE) education are reported. Surveys were distributed to the chairs and heads of materials programs, faculty members engaged in computational research, and employers of materials scientists and engineers, mainly in the United States. The data was compiled to assess current course offerings related to CMSE, the general climate for introducing computational methods in MSE curricula, and the requirements from the employers’ viewpoint. Furthermore, the available educational resources and their utilization by the community are examined. The surveys show a general support for integrating computational content into MSE education. However, they also reflect remaining issues with implementation, as well as a gap between the tools being taught in courses and those that are used by employers. Overall, the results suggest the necessity for a comprehensively developed vision and plans to further the integration of computational methods into MSE curricula.     

Atomic-scale computational materials science

An overview on methodology and leading-edge applications of atomistic computational materials science based on quantum mechanical concepts is presented.     

Materials science and materials engineering

When materials are viewed from the vantage point of how they are processed and used rather than from the science that underlies and explains their behavior, it is difficult to differentiate problems associated with different classes of materials; hence, the trend toward materials scientists and engineers.     

Informatics for combinatorial materials science

Combinatorial experiments aim to create large amounts of data and information, and managing that data is a challenge. This article will focus on how to scientifically interpret the data generated from combinatorial experiments and high-throughput screening.     

Teaching materials science to engineers

Every engineer is, in a sense, a materials engineer. Described here is a course designed to give students other than metallurgists and ceramists a firm foundation in materials science.     

Fractal material science: A new direction in materials science

To optimize the structure and properties of alloys, it is necessary to take into account the effect of the self-organization of a dissipative structure with fractal properties at load. This requires the development of self-organizing technologies for material production. Fractal material science takes into account the relation between the parameters of fractal structures and the dissipative properties of alloys. It also takes into account the base properties of highly nonequilibrium systems and the self-organizing process of the fractal structure in bifurcation points. V.S. Ivanova earned her Dr. Tech.Sc. in technical sciences, materials science, at Moscow Power Institute in 1948. She is currently chief expert at A.A. Baikov Institute of Metallurgy. I.J. Bunin earned his Dr. Tech. Sc. in technical science, materials science, at Moscow Engineer-Physical Institute in 1987. He is currently chief research worker at A.A. Baikov Institute of Metallurgy. V.I. Nosenko earned his Dr. Tech. Sc. in technical sciences, mathematical theory of elasticity, at Metallurgical University in 1968. He is currently president of Vita International Corporation. Dr. Nosenko is also a member of TMS.     

Adapting thermodynamics for materials science problems

Some recent developments in the applications of thermodynamics to problems in materials science have required adaptations that are in the inventive spirit of classical thermodynamics. Diffuse interfaces and the problems that crystal lattices pose are taken as examples.     

Triple lines in materials science and engineering

We assess the impact of triple lines in materials preparation and use by considering several examples of materials behavior in which they have identifiable effects. The microstructural roles of triple lines are also considered and some persistent scientific questions are raised.     

电子理论在材料科学中的应用

介绍密度泛函理论（DFT）、余氏理论（EET）和程氏理论（TFDC）,综述DFT在功能材料、结构材料和表面科学等领域中的应用,EET在金属材料和陶瓷材料等领域中的应用,以及TFDC在晶体中位错稳定性、簿膜内应力、纳米材料等领域中的应用,阐述了3种电子理论的相互关系和应用特点,展望3种电子理论的应用前景,指出三者的有机结合是电子理论发展的有效途径。     

Aqueous processing in materials science and engineering

Reviews of aqueous processing in JOM have traditionally focused on hydrometallurgical process routes. This article, however, addresses the application of aqueous processing in materials engineering and presents some promising developments that employ aqueous-based routes for the manufacture of high-tech components and specialty products. Such applications include producing metallic and ceramic powders; etching; surface modification by electroplating and electroless plating; manufacturing jewelry and intricate components by electroforming; and producing advanced ceramics, composites, and nanophase materials by sol-gel and biomimetic processing.     

Implications of wettability in biological materials science

Understanding liquid-solid interactions through the behavior of the liquid-solid interface is of paramount interest in many applications ranging from plant surfaces to fabrics, metal casting and biomedical implants. Liquid-solid interactions may or may not include chemical reactions, and the degree of liquid spreading over the solid surface (wetting) may vary based on the chemical properties of the materials involved (surface free energy) and the topography of the solid surface (roughness). The wetting of solid surfaces by biological fluids is often necessary for a chain of biological events to unfurl so that a foreign material may be accepted in vivo and thus become bioactive. We discuss the fundamentals of wettability, and how it pertains to the biological environment. The widespread use of contact angle measurements for the determination of surface free energy is also discussed. The use of contact angle as a general test for biocompatibility has inherent pitfalls as the effects of roughness on contact angle may be significant and misleading about the true chemical nature of the surface. Techniques to characterize the surface free energy are much more reliable, but are not as easily implemented as contact angles.