α-Fe/Nd2Fe14B复合纳米晶的界面研究

采用正电子寿命谱和双探头Doppler展宽测量在原子尺度上研究了α-Fe/Nd2Fe14B复合纳米晶的界面结构.正电子寿命研究表明, α-Fe/Nd2Fe14B复合纳米晶存在两类界面.一类为非晶界面层, 正电子湮没寿命为155 ps; 另一类为具有原子空位的松懈界面, 含有空位尺寸大于1～2个铁原子空位的结构自由体积, 正电子湮没寿命为246 ps.电子-正电子湮没光子的共谐Doppler展宽测量表明这类松懈界面富集非磁性原子Nd和B, 这将削弱α-Fe/Nd2Fe14B复合纳米晶晶粒间的磁交换耦合.     

Structural transition, dielectric and bonding properties of BeCN2

By means of first principle total energy calculations, this paper studies the structural transition, elastic, mechanical, dielectric and electronic properties of BeCN₂. The calculations in total energy indicate that under ambient condition, the orthorhombic BeSiN₂-type BeCN₂ (space group Pna2₁) is a more favoured structure than the tetragonal chalcopyrite-type one (space group I-42d). The results of elastic properties reveal that BeCN₂ in both orthorhombic and tetragonal structure has higher bulk and shear moduli and smaller Poisson's ratio. The calculated Vicker hardness of tetragonal phase is 36.8 GPa, indicating a hard material. The analyses of electronic structure and electron density difference demonstrate that these excellent mechanical properties are attributed to the stronger covalent-bonding of CN₄ and BeN₄ subunits in BeCN₂ crystal. Also, the orthorhombic BeCN₂ phase is found to be a transparent semiconductor material with the calculated direct band gap of about 5.56 eV, superior to the indirect band gap of diamond and c-BN. Moreover, it also calculates Born effective charges and dielectric constants of BeCN₂. These results suggest that BeCN₂ may have some useful applications as optoelectronic, optical window and wear resistant materials.     

冷轧低碳钢高压相变组织的透射电镜分析

 对冷轧低碳钢在高压下进行再结晶,用透射电子显微镜（TEM）分析高压相变组织,发现压力可以使再结晶晶粒细化;压力升高,具有体心立方结构的普通低碳钢可形成ε-马氏体,并根据电子衍射花样的计算确定ε-马氏体的晶格参数。     

α-Fe／Nd2Fel4B复合纳米晶的界面研究

采用正电子寿命谱和双探头Doppler展宽测量在原子尺度上研究了α-Fe，Nd2Fel4B复合纳米晶的界面结构。正电子寿命研究表明，α-Fe/Nd2Fel4B复合纳米晶存在两类界面。一类为非晶界面层，正电子湮没寿命为155ps；另一类为具有原子空位的松懈界面，含有空位尺寸大于-2个铁原子空位的结构自由体积，正电子湮没寿命为246ps。电子-正电子湮没光子的共谐Doppler展宽测量表明这类松懈界面富集非磁性原子Nd和B，这将削弱α-Fe/Nd2Fel4B复合纳米晶晶粒间的磁交换耦合。