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| 1 | Deformation nanomechanics and dislocation quantification at the atomic scale in nanocrystalline magnesium显示文摘Classical molecular dynamics(MD)simulation method is employed to study the uniaxial tensile deformation of nanocrystalline magnesium(Mg)of varying grain size levels.The mean grain size of the sample is varied from 6.4 nm to 45 nm,with each sample containing about 43 million atoms in the modeling system.The deformation nanomechanics reveals two distinct deformation mechanisms.For larger grain-sized samples,dislocation dominated deformation is observed while,in smaller grain-sized samples,grain boundary-based mechanisms such as grain boundary sliding,grain boundary rotation are observed.The transition of normal and inverse Hall-Petch relation occurs at around lOnm.Dislocation density quantification shows that the dislocation density in the sample drastically reduces with decreasing grain size.Elastic modulus of nanocrystalline Mg with mean grain size above 20 nm remains comparable to that of the coarse-grained polycrystalline bulk,followed by a rapid reduction below that grain size.The present work reveals the nanomechanics of nanocrystalline Mg,facilitating the design and development of Mg-based nanostructured alloys with superior mechanical properties. | Md.Shahrier Hasan Rachell Lee Wenwu Xu | 2020 | Journal of Magnesium and Alloys2020，8，4： | 2 |
| 2 | Mg_(17)Al_(12)(110)表面终端稳定性的密度泛函理论研究显示文摘Mg_(17)Al_(12)(110)面具有T1~T5共5个可能的终端结构。长期以来,T3一直被认为是该表面最稳定的终端,然而最近的理论计算表明T1终端可能更加稳定。为了解决这一争议,本文作者采用密度泛函理论计算揭示Mg_(17)Al_(12)(110)面最稳定的终端形式。表面能计算结果表明,不论Mg_(17)Al_(12)(110)面是否存在缺陷,T1总是该面最稳定的终端。T1终端的高稳定性可能与Mg_(17)Al_(12)中的Al截角四面体有关,因为只有沿着T1终端截取Mg_(17)Al_(12)(110)面才不会破坏Al截角四面体的完整性。除了揭示最稳定的终端,还计算了Mg_(17)Al_(12)(110)面的功函数,结果表明该面的功函数主要由表面的AlMg缺陷浓度决定。 | 王家佳 芦子杰 张开骁 应国兵 李保松 陈建清 宋丹 江静华 马爱斌 | 2023 | Transactions of Nonferrous Metals Society of China2023，33，3： | 0 |
| 3 | Four new orientation relationships of Mg_(17)Al_(12) phase with magnesium matrix in Mg-8Al-0.5Zn alloys显示文摘Although the non-basal precipitates, those not parallel to the basal plane, are more effective to block basal slip in Mg-Al alloys, the crystallographic orientation relationship(OR) between these precipitates and the α-Mg matrix has not been well established. In this work, the crystallography of the non-basal Mg_(17)Al_(12) precipitates in AZ80 alloy was systematically investigated by transmission electron microscopy(TEM). By tilting to a suitable electron beam direction, different kinds of non-basal precipitates were recognized in TEM, and the following four new ORs between the non-basal Mg_(17)Al_(12) precipitates and the matrix were revealed: ■, and ■.Furthermore, these ORs and their habit planes were explained using the edge-to-edge matching model. The findings in this work can provide some guidelines for designing the microstructure of Mg-Al alloys to enhance their precipitation hardening potential. | Feiya Liu Renlong Xin Xin Wen Xinfu Gu Qing Liu | 2023 | Journal of Magnesium and Alloys2023，11，12： | 0 |
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