In incude synthesis and investigations of novel multifunctional strong materials - transition metal (TM=Fe, Cr, Mn, Mo, W, Ti) borides

现代计算方法，允许在计算机上进行材料设计，已经使材料研究发生了革命性的变化。虽然硅材料设计的目的是减少实验次数，但对于材料发现来说，计算机模拟不可避免地伴随着实验。为了在静态高压下合成和研究化合物，我们引入了INCOUD(拉丁语中“In Answer”的意思)一词，它指的是在顶锤上进行的实验，包括从钻石顶压室到大容量压制技术的各种方法。在我们的项目过程中，我们将建造一台超大容量压力机，包括合成和研究新型多功能强材料，为In Silo预测提供验证。我们将集中讨论在最近的从头计算中预测了多功能强材料(特别是那些具有极高硬度、特殊弹性性质和超导电性的材料)的特殊过渡金属--B，Tm-B(Tm=Fe，Cr，Mn，Mo，W)体系。我们打算找出重要的硼化物系统的压力-温度相图的一般原理，并对新合成的高压高温材料的物理性质进行实验表征。

Modern computational methods, allowing in silico ("performed on computer") materials design, have already revolutionized materials research. Although in silico materials design aims at decreasing the number of experiments, for materials discovery the computer simulation is inevitably followed by experiment. As an analogy to in silico (Latin for "in silicon"), for synthesis and investigations of compounds at static high pressures we introduce the term in incude (Latin for "in anvil") which refers to experiments done in anvils and comprises methods ranging from diamond anvil cell to large volume press techniques. In course of our project we will build an ultra-large volume press and in incude synthesize and investigate novel multifunctional strong materials to provide verification of in silico predictions. We will concentrate on the particular transition metal-boron, TM-B (TM = Fe, Cr, Mn, Mo, W), systems, for which multifunctional strong materials (in particular those possessing extreme hardness, unusual elastic properties and superconductivity) have been predicted in recent ab initio calculations. We intend to find general fundamentals of the pressure-temperature phase diagrams of the important boride systems and experimentally characterize physical properties of newly synthesized high-pressure high-temperature materials.