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The compression behaviour of Ni77P23 amorphous alloy is investigated at room temperature in a diamond-anvil cell instrument using in-situ high pressure energy dispersive x-ray diffraction with a synchrotron radiation source. The equation of state is determined by fitting the experimental data according to the Birch-Murnaghan equation. It is found that the structure of Ni77P23 amorphous alloy is stable under pressures up to 30.5 GPa. Within the pressure range from zero to the experimental one, the pressure-induced structural relaxation is reversible. 相似文献
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利用六面顶高压设备制备了高密度、低脆性、纳米级的ZnO块体材料,用MDI/JADE5 X射线衍射仪(Cu靶)和XL30S-FEG场发射扫描电子显微镜对高压样品的相组成、晶粒尺寸及微观形貌进行了表征.利用E55+FRA106/5傅里叶变换激光拉曼光谱仪通过ZnO块体样品位于50—500cm-1之内的拉曼光谱, 研究了极性半导体纳米材料的拉曼光谱学特征.发现在极性半导体ZnO纳米块体材料中,没有出现明显的尺寸限制效应.
关键词:
ZnO纳米块体
拉曼光谱
尺寸限制效应 相似文献
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高温高压下氧化锌纳米晶的晶粒演化动力学 总被引:3,自引:0,他引:3
用GS-1B型六面顶压机研究了ZnO纳米晶高温高压下的晶粒演化动力学, 用MDI/JADE5 X射线衍射仪(Cu靶)和XL30S-FEG场发射扫描电子显微镜对高压样品的相组成、晶粒尺寸及微观形貌进行了表征. 实验发现300 ℃(包括300 ℃)以下, ZnO纳米材料中晶粒生长速率随着压力的升高先增大后减小, 1~3 GPa烧结体晶粒尺寸随着压力的升高而增大, 4~6 GPa烧结体晶粒尺寸随着压力的升高而减小. 利用高压下晶粒生长速率方程求出1~3 GPa, 4~6 GPa的激活体积分别为-5.82, 9.66 cm3/mol. 400 ℃(包括400 ℃)以上, 1~6 GPa烧结体的晶粒尺寸随着压力的升高而不断增大. 相似文献
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运用密度泛函理论下的广义梯度近似和交换关联函数对Cu吸附(SiO2)n(n=1—8)团簇的几何结构、电荷分布、稳定性和电子性质进行了较详细的研究,结果表明: Cu原子易于和带有悬挂键的Si原子作用并形成"铜岛膜"; Cu吸附(SiO2)n团簇后Si原子失去电子能力减弱,O原子得到电子能力增强;Cu(SiO2)n(n
关键词:
密度泛函理论
2)n (n=1—8)团簇')" href="#">Cu(SiO2)n (n=1—8)团簇
近红外吸收 相似文献
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The structural,elastic, and electronic properties of ZrxNbl-xC alloys from first principle calculations*
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The structural, elastic, electronic, and thermodynamic properties of ZrxNbl xC alloys are investigated using the first principles method based on the density functional theory. The results show that the structural properties of Zr~.Nb1 xC alloys vary continuously with the increase of Zr composition. The alloy possesses both the highest shear modulus (215 GPa) and a higher bulk modulus (294 GPa), with a Zr composition of 0.21. Meanwhile, the Zr0.2! Nb0.79C alloy shows metallic conductivity based on the analysis of the density of states. In addition, the thermodynamic stability of the designed alloys is estimated using the calculated enthalpy of mixing. 相似文献
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Cylinder-shaped CusoNi20 alloy melt is undercooled and solidified by the combination of the electromagnetic levitation technique and the flux treatment method. Nearly constant temperature gradient of 8-10 K/cm is realized for the cylindrical melts with differen~ undercooling levels at the bottom ends. The experimental results reveal that with the increase of the undercoo]ing of the melts from 35 to 220 K, the microstructures undergo transition from coarse dendrites to granular grains, unidirectional dendrites, and finally to equiaxed grains. 相似文献
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采用基于密度泛函理论(DFT)中的广义梯度近似 (GGA),在考虑自旋多重度的情况下,对NiMgn(n=1—12)团簇进行了构型优化,频率分析和电子性质计算.结果表明:n=1,2时,体系的基态为自旋三重态,n≥3时,为单重态;Ni原子掺杂使主团簇结构发生了明显变化. n≤8时,三角双锥,四角双锥结构主导着NiMgn基态团簇的生长行为; n在9—12之间时,主团簇Mgn+1(n=1—12)的基于三棱柱构型的基态演化行为发生了一定程度的改变;n≥6时,Ni原子陷入了主团簇内部;掺杂使体系的平均结合能增大,能隙减小;n=4,6,10是团簇的幻数;不同尺寸团簇的s, p, d轨道杂化中,Ni原子3d, 4p成分所起作用不同; NiMg6基态结构具有很高的对称性(Oh),很好的稳定性和化学活性,能隙仅为0.25eV.
关键词:
n团簇')" href="#">NiMgn团簇
几何结构
稳定性
化学活性 相似文献