Zr-Ti-Be-Co是Zr,Ti,Be和Co这4种元素构成的非晶体系，对它研究最权威的一篇文献来自Nature Materials中的：Transition from a strong-yet-brittle to a stronger-and-ductile state by size reduction of metallic glasses。其比例为35:30:29:6，即非晶化学式可表述为Zr35Ti30Be29Co6。Jang和Greer不仅考虑了尺寸效应对这个体系脆性和韧性影响，还在另一篇文献：Effects of size on the strength and deformation mechanism in Zr-based metallic glasses。中考虑尺寸效应对其强度和变形的影响。
实际上，Aaron Wiest的博士论文就对这类多元素体系的BMG做过系统的实验研究与理论分析：Thermoplastic Forming and Related Studies of the Supercooled Liquid Region of Metallic Glasses。有关Zr35Ti30Be29Co6的应用领域在 “HIGH CORROSION RESISTANT Zr-Ti BASED METALLIC GLASSES”有简要的介绍：
Bulk solidifying amorphous alloys (BMGs) having improved corrosion resistance properties; and more particularly a sub-set of Zr--Ti-based BMGs having improved corrosion resistance properties are provided. The BMG compositions are formed by carefully controlling the concentration of, or removing altogether, highly electronegative elements, such as Ni and Cu from Zr--Ti-based bulk solidifying amorphous alloys thereby producing BMG materials with corrosion resistance properties that far exceed those of current commercially available BMGs and most conventional alloys. The elimination of these electronegative materials also opens the possibility of new uses for BMGs, including in biological applications.
并附带给出了Zr-Ti基体类BMGs的定义：
A medical implant comprising:an implant body formed of a bulk metallic glass having a composition in accordance with the following molecular formula:(ZraTib)1-z(BecXd).sub.z wherein x is an additive material selected from the group consisting of Y, Co, Fe, Cr, Mo, Mg, Al, Hf, Ta, Nb and V;wherein z is from around 20 to 50 at %;wherein the sum of c and d is equal to z and wherein c is at least around 25 at %; andwherein elements having an electronegativity greaterthan 1.9 are present only in trace amounts.
The implant of claim, wherein the alloy has a composition selected from the group consisting of Zr35Ti30Be35, Zr25Ti40Be30Cr5, Zr35Ti30Be33Fe2, Zr35Ti30Be31Fe4, Zr35Ti30Be29Fe6, Zr35Ti30Be27.5Fe7.5, Zr35Ti30Be33Co2, Zr35Ti30Be31Co4, Zr35Ti30Be29Co6, Zr35Ti30Be27.5Cu7.5.
从模拟的角度来说，这么多的元素的非晶体系，lammps是很难模拟的，主要原因在于其势函数没有现成的势函数可用。该问题的方案将不得不借助第一性原理分子动力学来解决。
参考链接：
[1] Greer group: http://jrgreer.caltech.edu/research.php
[2] transition to chaos in amorphous solids under oscillatory
Zr-Ti-Be-Co（ Zr--Ti-based BMGs ）
原文：http://www.cnblogs.com/panscience/p/5102924.html