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Doping colloidal bcc crystals — interstitial solids and meta-stable clusters

机译:掺杂胶体BCC晶体-间隙固体和亚稳态团簇

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摘要

The addition of a small amount of dopant impurities to crystals is a common method to tune the properties of materials. Usually the doping grade is restricted by the low solubility of the dopants; increasing the doping concentration beyond this solubility limit leads to supersaturated solutions in which dopant clusters dominate the material properties, often leading to deterioration of strength and performance. Descriptions of doped solids often assume that thermal excitations of the on average perfect matrix are small. However, especially for bcc crystals close to their melting point it has recently become clear that the effects of thermal disorder are strong. Here we study the doping of weak bcc crystals of charged colloids via Brownian dynamics simulations. We find a complex phase diagram upon varying the dopant concentration. At low dopant concentrations we find an interstitial solid solution. As we increase the amount of dopants a complex meta-stable liquid-in-solid cluster phase emerges. Ultimately this phase becomes meta-stable with respect to macroscopic crystal-crystal coexistence. These results illustrate the complex behaviour that emerges when thermal excitations of the matrix drive impure crystals to a weak state.
机译:向晶体中添加少量掺杂剂杂质是调整材料性能的常用方法。通常,掺杂等级受限于掺杂剂的低溶解度。将掺杂浓度提高到超过此溶解度极限会导致过饱和溶液,其中掺杂剂团簇支配材料性能,通常会导致强度和性能下降。掺杂固体的描述通常假定平均理想基质的热激发很小。但是,特别是对于bcc晶体接近其熔点的情况,最近变得很清楚,热失调的影响很强。在这里,我们通过布朗动力学模拟研究了带电胶体的弱bcc晶体的掺杂。通过改变掺杂剂浓度,我们发现了一个复杂的相图。在低掺杂剂浓度下,我们会发现间隙固溶体。随着我们增加掺杂剂的数量,出现了复杂的亚稳态固液簇簇相。最终,该阶段相对于宏观晶体-晶体共存成为亚稳态。这些结果说明了当基质的热激发将不纯的晶体变为弱态时出现的复杂行为。

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