| 1 | Computational thermodynamics, computational kinetics, and materials design显示文摘Computational thermodynamics,known as CALPHAD method when dawned in 1950s,aimed at coupling phase diagrams with thermochemistry by computational techniques.It eventually evolves toward kinetic simulations integrated with thermodynamic calculations,i.e.,computational kinetics,including diffusion-controlled phase transformation,precipitation simulation,and phasefield simulation.In the meantime,thermodynamic,mobility,and physical property databases for multi-component and multi-phase materials,served as basic knowledge for materials design,are critically evaluated by CALPHAD approach combining key experiments,first-principles calculations,statistic methods,and empirical theories.The combination of these computational techniques with their conjugated databases makes it possible to simulate phase transformations and predict the microstructure evolution in real materials in a foreseeable future.Further links to microand macro-scale simulations lead to a multi-scale computational framework,and aid the search for the quantitativerelations among chemistry,process,microstructures,and materials properties in order to accelerate materials development and deployment.This is a new route of materials and process design pursued by Integrated Computational Materials Engineering(ICME)and Materials Genome Initiative(MGI).This article presents a review on the basic theories and applications,the state of the art and perspective of computational thermodynamics and kinetics. | Xiao-Gang Lu Zhuo Wang Yuwen Cui Zhanpeng Jin | 2014 | Chinese Science Bulletin2014，59，15： | 3 |
| 2 | Research Progress on Spider-Inspired Tough Fibers显示文摘Spider silk has attracted increasing attention due to its fascinating combination of ultra-high tenacity high strength,and excellent elasticity.Based on the fundamental biological studies on spider silk,significant research efforts have been devoted to biotechnology and chemical synthesis to mimic or even exceed the properties of natural spider silk fibers.Moreover,the natural spider silk fiber has been simulated with the burgeoning development of numerous spinning technologies,including wet spinning,dry spinning,electrostatic spinning,and microfluidic spinning,which continuously help to optimize the properties of synthetic spider silk.The unique characteristics of natural spider silk include high refraction transmission,heat resistance,antimicrobial properties,biocompatibility,and super shrinking.Biconical recreation of spider silk with special features and extraordinary capabilities demonstrates potential applications in biomedicine,smart wearables,artificial muscles and sensors,aerospace and other domains. | Shiyong Liu Zhanpeng Cui Zunfeng Liu Weiqiang Zhao Xiang Zhou | 2023 | Chinese Journal of Chemistry2023，41，23： | 0 |
您所在的机构暂未开通此部分的功能，请联系管理员