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1.
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   
2.
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   
3.
FeSi2合金在高压下的凝固   总被引:7,自引:0,他引:7       下载免费PDF全文
研究了压力对FeSi2合金凝固组织的影响.与常压下凝固的典型共晶组织不同,高压条件下的凝固组织为初生ε相树枝晶加离异共晶.高压下凝固组织的变化主要是与压力对相图的影响和对凝固过程中溶质原子扩散的影响有关.通过引入压力参量,推导了高压凝固过程中的成分过冷判据,并应用该判据分析了高压凝固树枝晶组织的形成机理. 关键词: 高压 凝固 FeSi2  相似文献   
4.
高性能ZnO纳米块体材料的制备及其拉曼光谱学特征   总被引:6,自引:0,他引:6       下载免费PDF全文
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   
5.
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   
6.
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  
邵光杰  秦秀娟  刘日平  王文魁 《化学学报》2006,64(16):1649-1653
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   
7.
Portland cement is the most common type of cement in general use around the world as a basic ingredient of concrete, mortar, stucco, and non-speciality grout. Dicalcium silicate(Ca_2SiO_4) is the primary constituent of a number of different types of cement. The β-Ca_2SiO_4 phase is metastable at room temperature and will transform into γ-Ca_2SiO_4 at 663 K. In this work, Portland cement is annealed at a temperature of 950 K under pressures in the range of 0–5.5 GPa. The high pressure experiments are carried out in an apparatus with six anvil tops. The effect of high pressure on the obtaining nano-size β-Ca_2SiO_4(C_2 S) process is investigated by x-ray diffraction and transmission electron microscopy. Experimental results show that the grain size of the C_2 S decreases with the increase of pressure. The volume fraction of the C_2 S phase increases with the pressure as the pressure is below3 GPa, and then decreases(P 3 GPa). The nano-effect is very important to the stabilization of β-Ca_2SiO_4. The mechanism for the effects of the high pressure on the annealing process of the Portland cement is also discussed.  相似文献   
8.
Thermal expansion is a common phenomenon in both metals and alloys, which is important for metallic material applications in modern industry, especially in nuclear and aerospace industries. A lower thermal expansion coefficient may cause lower thermal stress and higher accuracy. A new Zr-based alloy is developed and presented.The XRD diffraction results demonstrate that only a close-packed hexagonal phase(α or α' phase) exists in the microstructure. The thermal expansion and mechanical properties are studied. According to the experimental results, the new Zr-based alloy presents a low thermal expansion coefficient and good mechanical properties.Also,its thermal expansion coefficient is stable through solution treatment.  相似文献   
9.
郝爱民  周铁军  朱岩  张新宇  刘日平 《中国物理 B》2011,20(4):47103-047103
An investigation of the electronic,elastic and thermodynamic properties of VC under high pressure has been conducted using first-principles calculations based on density functional theory (DFT) with the plane-wave basis set,as implemented in the CASTEP code. At elevated pressures,VC is predicted to undergo a structural transition from a relatively open NaCl-type structure to a more dense CsCl-type one. The predicted transition pressure is 520 GPa. The elastic constant,Debye temperature and heat capacity each as a function of pressure and/or temperature of VC are presented for the first time.  相似文献   
10.
The structural,elastic,electronic,and thermodynamic properties of Zr x Nb1-x C alloys are investigated using the first principles method based on the density functional theory.The results show that the structural properties of Zr x Nb1-x C 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 Zr0.21Nb0.79C 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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