1ST-PRINCIPLES CALCULATION OF THE ELASTIC-MODULI OF NI3AL

被引：30

作者：

OSBURN, JE

MEHL, MJ

KLEIN, BM

机构：

[1] Complex Systems Theory Branch, Naval Research Laboratory, Washington

来源：

PHYSICAL REVIEW B | 1991年 / 43卷 / 02期

关键词：

D O I：

10.1103/PhysRevB.43.1805

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have computed the elastic constants for Ni3Al in the L1(2) structure using the full-potential, total-energy linearized augmented-plane-wave method. The results compare extremely well with accepted experimental values.

引用

页码：1805 / 1807

页数：3

共 19 条

[1] LINEAR METHODS IN BAND THEORY [J].

ANDERSEN, OK .

PHYSICAL REVIEW B, 1975, 12 (08) :3060-3083

[2]

[Anonymous], 1967, HDB LATTICE SPACINGS

[3] FINITE STRAIN ISOTHERM AND VELOCITIES FOR SINGLE-CRYSTAL AND POLYCRYSTALLINE NACL AT HIGH-PRESSURES AND 300-DEGREE-K [J].

BIRCH, F .

JOURNAL OF GEOPHYSICAL RESEARCH, 1978, 83 (NB3) :1257-1268

[4] EMBEDDED-ATOM METHOD - DERIVATION AND APPLICATION TO IMPURITIES, SURFACES, AND OTHER DEFECTS IN METALS [J].

DAW, MS ;

BASKES, MI .

PHYSICAL REVIEW B, 1984, 29 (12) :6443-6453

[5] ELASTIC CONSTANTS OF SINGLE-CRYSTAL NI3AL FROM 10 DEGREES C TO 850 DEGREES C [J].

DICKSON, RW ;

WACHTMAN, JB ;

COPLEY, SM .

JOURNAL OF APPLIED PHYSICS, 1969, 40 (05) :2276-&

[6] ELASTIC-CONSTANTS VERSUS MELTING TEMPERATURE IN METALS [J].

FINE, ME ;

BROWN, LD ;

MARCUS, HL .

SCRIPTA METALLURGICA, 1984, 18 (09) :951-956

[7]

Foiles S. M., 1987, Journal of Materials Research, V2, P5, DOI 10.1557/JMR.1987.0005

[8]

FRANSE JJM, 1977, PHYSICA B, V88, P317

[9] EXPLICIT LOCAL EXCHANGE-CORRELATION POTENTIALS [J].

HEDIN, L ;

LUNDQVIS.BI .

JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1971, 4 (14) :2064-&

[10] INHOMOGENEOUS ELECTRON-GAS [J].

RAJAGOPAL, AK ;

CALLAWAY, J .

PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919

← 1 2 →