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59. Melting Curve of Metals: Pressure Dependence<br />
Vu Van Hung (1), Dang Thanh Hai (2), and Le Thi Binh (1)<br />
(1) Hanoi National University of Education, 136 Xuanthuy, Caugiay,<br />
Hanoi<br />
(2) Vietnam Education Publishing House, Tran Hung Dao, Hai Ba<br />
Trung, Ha Noi<br />
The high-pressure melting curve of metals has been studied using<br />
the statistical moment method. The melting was investigated at<br />
different high pressures, the melting temperature being in good<br />
agreement with previous experiments and several theoretical<br />
calculations. A small slope for the melting dT/dP curve of metals is<br />
estimated and a possible explanation for this behaviour is given.<br />
Finally, a P -V - T equation of states is obtained, the temperature<br />
and pressure dependences of the shear modulus and the bulk<br />
modulus being estimated.<br />
Báo cáo Treo<br />
60. Investigation of Thermodynamic Properties Liquid Cu – Ni<br />
Alloys Using Moment Method<br />
Nguyen Thanh Hai<br />
Institute of Engineering Physics, Hanoi University of Technology, 1<br />
Dai Co Viet, Hai Ba Trung, Ha Noi<br />
Using the model of liquid alloys having structural similar solid<br />
alloys at melting temperature, the expressions nearest-neighbour<br />
distance of liquid alloy are obtained. The change in volume,<br />
entropy, specific heat of alloys on melting at the pressure P=0 is<br />
investigated. Our obtain results are applied to numerical calculations<br />
Báo cáo Treo<br />
61. Study of Thermodynamic Properties of Zirconium under High<br />
Pressure<br />
Vu Van Hung, Le Dinh Hong, and Nguyen Thu Ha<br />
Hanoi University of Education 136 Xuan Thuy, Cau Giay, Ha Noi<br />
The moment method in statistical (SMM) dynamics is used to study<br />
the thermodynamic quantities of zirconium taking into account the<br />
anharmonicity effects of the lattice vibrations and hydrostatic<br />
Hội nghị Vật lý lý thuyết toàn quốc lần thứ 35<br />
61<br />
pressures. The thermodynamic quantities of zirconium are<br />
calculated as a function of the pressure. The SMM calculations are<br />
performed by using the Lennard-Jones potential for the zirconium<br />
crystal with hcp and bcc structures. Numerical results for lattice<br />
parameter, thermal expansion coefficient, specific heats at constant<br />
volume and those at the constant pressure CV and CP of zirconium<br />
crystal with bcc and hcp structures are found to be in good<br />
agreement with experiment.<br />
Báo cáo Treo<br />
62. Study of Elastic Properties of CeO 2 by Statistical Moment<br />
Method<br />
Vu Van Hung (1), Le Thi Mai Thanh(1), and<br />
K. Masuda-Jindo (2)<br />
(1)Hanoi National University of Education, 136 Xuan Thuy, Hanoi,<br />
Vietnam<br />
(2) Department of Material Science and Engineering, Tokyo Institute<br />
of Technology, Nagasuta, Midori-ku, Yokohama 226-8530, Japan<br />
The purpose of the present article is to investigate the temperature<br />
and pressure dependences of the elastic properties of cerium dioxide<br />
using the statistical moment method (SMM). The equation of states<br />
of bulk CeO 2 is derived from the Helmholtz free energy, and the<br />
pressure dependences of the elastic moduli like the bulk modulus,<br />
BT, shear modulus, G, Young’s modulus, E, and elastic constants<br />
(C11, C12 and C44) are presented taking into account the<br />
anharmonicity effects of the thermal lattice vibrations. In the present<br />
study, the influence of temperature and pressure on the elastic<br />
moduli and elastic constants of CeO 2 have also been studied, using<br />
three different interatomic potentials.. We compare the results of the<br />
present calculations with those of the previous theoretial<br />
calculations as well as with the available experiments<br />
Báo cáo Treo<br />
63. Structural and Dynamics Properties of Lithium Silicate<br />
Nguyen Thu Nhan and Pham Khac Hung<br />
Department of Computational Physics, Hanoi University of Science<br />
and Technology, Vietnam<br />
62<br />
Tp. Hồ Chí Minh, 02-06/8/2010<br />
The diffusion mechanism in silicate melts is a long debated topic in<br />
material science. The present paper focuses on to give new insight<br />
in this problem based on the comparative study for pure and lithium<br />
silicate melts (SiO 2 and (Li 2 O) 0.1 .(SiO 2 ) 0.9 ). Both silicate models<br />
consisting of 3000 atoms have been prepared at ambient pressure<br />
and temperature from 1500 to 4000 K. The simulation reveals a<br />
significant difference in the tetrahedral-network structures which<br />
results in the change in the diffusion mechanism of silicon and<br />
oxygen. The local structure of both melts is also analyzed and<br />
discussed here.<br />
Báo cáo Treo<br />
64. Order – Disorder Phase Transition in Cu 3 Au under Pressure<br />
Pham Dinh Tam (1), Nguyen Quang Hoc (2), Le Tien Hai<br />
(1), and Pham Duy Tan (1)<br />
(1) Le Quy Don University of Technology, 100 Hoang Quoc Viet, Cau<br />
Giay, Hanoi<br />
(2) Hanoi National University of Education, 136 Xuan Thuy, Cau<br />
Giay, Hanoi<br />
The dependence of the critical temperature Tc for alloy Cu 3 Au on<br />
pressure in the interval from 0 to 30 kbar is studied by the statistical<br />
moment method. The calculated velocity of critical temperature<br />
changing to pressure is 2.1K/ kbar in the interval from 7 to 21 kbar<br />
and this result is in a good agreement with the experimental data.<br />
Báo cáo Treo<br />
65. Study of Elastic Properties of Quantum Crystals by Statistical<br />
Moment Method<br />
Vu Van Hung, Hoang Van Thai, and Dinh Quang Vinh<br />
Hanoi National University of Education, 136 Xuan Thuy, Hanoi,<br />
Vietnam<br />
Temperature and pressure dependences of the elastic properties of<br />
quantum crystals have been studied using the analytic statistical<br />
moment method (SMM). The equation of states of the quantum<br />
crystals is derived from the Helmholtz free energy, and the pressure<br />
dependences of the elastic moduli like the bulk modulus, BT, shear<br />
modulus, G, Young’s modulus, E, and elastic constants (C11, C12<br />
63<br />
Hội nghị Vật lý lý thuyết toàn quốc lần thứ 35<br />
64<br />
and C44) are presented taking into account the anharmonicity<br />
effects of the thermal lattice vibrations. In the present study, the<br />
influence of temperature and pressure on the elastic moduli and<br />
elastic constants of Ar, Kr, and Xe have also been studied, using the<br />
Lennard-Jones potentials and we compare the SMM results with<br />
those of the previous theoretial calculations as well as with the<br />
available experimental results.<br />
Báo cáo Treo<br />
66. A Thermodynamic Lattice Theory on Lindemann’s Melting<br />
Temperature and Eutectic Point of FCC Binary Alloys<br />
Nguyen Van Hung, Nguyen Cong Toan, Tong Sy Tien,<br />
Nguyen Bao Trung<br />
Department of Physics, University of Science, VNU-Hanoi. 334<br />
Nguyen Trai, Thanh Xuan, Hanoi<br />
A thermodynamic lattice theory has been developed for<br />
determination of the melting curves and eutectic points of fcc binary<br />
alloys. Based on Lindemann’s criterion the analytical expressions<br />
for the ratio of root mean square fluctuation in atomic positions on<br />
the equilibrium lattice positions and the nearest neighbor distance,<br />
and then from which those for the melting curves of binary alloys<br />
composed by fcc constituent elements have been derived. This<br />
melting curve provides information on Lindemann’s melting<br />
temperatures of binary alloys with respect to any proportion of<br />
constituent elements and on their eutectic points. Numerical results<br />
for some fcc binary alloys provide a good correspondence between<br />
the calculated and experimental phase diagrams, where the<br />
calculated results for Cu 1-x Ni x agree well with the measured values.<br />
Báo cáo Treo<br />
67. Atomic Radii of Noble Gas Elements in Condensed Phases<br />
Nguyen Quang Hoc and Dinh Quang Vinh<br />
Hanoi National University of Education, 136 Xuan Thuy, Cau Giay,<br />
Hanoi<br />
Neutral atomic radii of dissolved noble gas elements in condensed<br />
phases are obtained by treating the neutral atoms as “ions” of zero<br />
Tp. Hồ Chí Minh, 02-06/8/2010