Ce3+concentration in ceria.•Point defect equilibrium in donor-doped ceria is solved quantitatively.•Donors are compensated by both oxygen interstitials and Ce3+.•The enthalpy of formation of anion Frenkel defect is reported.•Lattice expansion in response to the interstitial oxygen is ...
lattice point格点的 lattice energy[化]点阵能;晶格能 更多收起词组短语 双语例句 用作名词(n.) Click the left mouse button corresponding lattice placed pawn. 鼠标左键点击相应的格子放置棋子。 In this paper, the computer simulation method for fluid flows and Lattice Automata method are studied in deta...
(2.6) will define an imaginary point in space, which we may designate as a lattice point in a new lattice called the reciprocal lattice. From these imaginary lattice points we may construct a primitive cell in the reciprocal space. The volume of a primitive cell in the reciprocal space is ...
A simple procedure devised to obtain optimized point charges to represent the Madelung potential is reported and applied to six different crystal structure... C Sousa,J Casanovas,J Rubio,... - 《Journal of Computational Chemistry》 被引量: 150发表: 1993年 ...
In the analysis the phonon scattering from boundary, point defects, and three-phonon processes has been considered. In the three-phonon processes the relaxation times having different temperature dependence in different temperature ranges have been used in the calculation. It is observed that the ...
78–80). The high growth preference of Pt on AuNP is due to the bounding {110} facets which are more active than {111} facet55; this issue is not the main point in this article and is not discussed further. Our main concern is whether the PtNCs could play a role in determining ...
Distributions on Partitions, Point Processes, and the Hypergeometric Kernel We study a 3-parametric family of stochastic point processes on the one-dimensional lattice originated from a remarkable family of representations of the i... A Borodin,G Olshanski - 《Communications in Mathematical Physics》...
Crystal lattice is the depiction of three dimensional arrangements of constituent particles (atoms, molecules, ions) of crystalline solids as points. Or the geometric arrangement of constituent particles of crystalline solids as point in space is called crystal lattice. ...
Calculations of the lattice contributions to the electric field gradients at the two types of structural site in a layer lattice silicate have been performed using a simple point charge model. In particular, contributions from atoms < 20... BA Goodman - 《Le Journal De Physique Colloques》 被引...
Experimental direct process relaxation data are used to test the predictions of three models: (1) the electrostatic model of Buisson and Borg, (2) a nearest neighbor, effective point charge model, and (3) the nearest neighbor superposition model of Newman and co‐workers. None of these proves...