“材料设计”的说法始于五十年代中期,近年来逐渐形成潮流,亦已引起我国科学界和工程界的关注。我们从事与材料设计有关的研究已多年,现谨将有关情况作一综述,以供参考。一、“材料设计”的历史背景和现状“材料设计”(materials design)的目标是要改变传统的新材料研制方法。从目前凭经验的“试行错误法”(trial and error method)或我国科学界称为“炒菜”的办法,过渡到从理论出发,靠计算机根据用途或指定性能预报新材料及其制法,做到像设计衣服或房屋那样“设计材料”。“材料设计”受重视的历史背景是: The idea of ​​“material design” started in the mid-1950s and gradually formed a trend in recent years. It has also drawn the attention of our scientific and engineering communities. We have been engaged in material-related research for many years. We will give a brief overview of the situation for reference. First, the “material design” of the historical background and status “Materials Design” (materials design) goal is to change the traditional methods of new material development. From the current “trial and error method” based on experience or the method known as “cooking in the scientific community” in our country, the transition from theory to theory is based on the use of computers or the forecasting of new materials and their preparation according to specified performance To “design materials” like designing clothes or houses. The historical context in which Material Design is valued is: