Calculation of the potential for interaction of particles with complex atomic structures

被引：43

作者：

Bagli, E. ^{[1
,2
]}

Guidi, V. ^{[1
,2
]}

Maisheev, V. A. ^{[3
]}

机构：

[1] Univ Ferrara, Ist Nazl Fis Nucl, Sez Ferrara, I-44100 Ferrara, Italy

[2] Univ Ferrara, Dipartimento Fis, I-44100 Ferrara, Italy

[3] Inst High Energy Phys, Protvino 142281, Russia

来源：

PHYSICAL REVIEW E | 2010年 / 81卷 / 02期

关键词：

CHARGED-PARTICLES; BOGGSITE; ENERGY;

D O I：

10.1103/PhysRevE.81.026708

中图分类号：

O35 [流体力学]; O53 [等离子体物理学];

学科分类号：

070204 ; 080103 ; 080704 ;

摘要：

We present a method for calculation of the potential and related physical quantities experienced by a particle traversing an aligned periodic complex atomic structure. Classical physics equations and the expansion of periodic functions as a Fourier series have been used for the calculation. Based on this method, we have developed the ECHARM program, which calculates one- and two-dimensional averaged physical quantities of interest along the main axes of any orthorhombic and tetragonal structure. For the case of cubic symmetry, the calculation holds for any orientation. Complex structures such as zeolites have been worked out to show the capability of the program.

引用

页数：9

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