PRESSURE-COMPOSITION ISOTHERMS FOR NANOCRYSTALLINE PALLADIUM HYDRIDE

被引：70

作者：

WOLF, RJ ^{[1
]}

LEE, MW

RAY, JR

机构：

[1] WESTINGHOUSE SAVANNAH RIVER CO, SAVANNAH RIVER TECHNOL CTR, AIKEN, SC 29808 USA

[2] CLEMSON UNIV, DEPT PHYS & ASTRON, CLEMSON, SC 29634 USA

来源：

PHYSICAL REVIEW LETTERS | 1994年 / 73卷 / 04期

关键词：

D O I：

10.1103/PhysRevLett.73.557

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We present results from Monte Carlo simulations of the pressure-composition isotherms of nanometer-size palladium clusters under hydrogen loading. In contrast to simulations of bulk samples, the clusters do not show a phase transformation upon hydriding. A study of the hydrogen loading of the clusters shows that they load the surface first and then the interior, with no evidence of a phase transformation. We relate this behavior of our models to the observed narrowing of the plateau (miscibility gap) in the phase boundary of the pressure-composition phase diagram of nanocrystalline palladium.

引用

页码：557 / 560

页数：4

共 15 条

[1] 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

[2] SEMIEMPIRICAL, QUANTUM-MECHANICAL CALCULATION OF HYDROGEN EMBRITTLEMENT IN METALS [J].

DAW, MS ;

BASKES, MI .

PHYSICAL REVIEW LETTERS, 1983, 50 (17) :1285-1288

[3] NARROWING OF THE PALLADIUM-HYDROGEN MISCIBILITY GAP IN NANOCRYSTALLINE PALLADIUM [J].

EASTMAN, JA ;

THOMPSON, LJ ;

KESTEL, BJ .

PHYSICAL REVIEW B, 1993, 48 (01) :84-92

[4]

FRIESKE H, 1973, BER BUNSEN PHYS CHEM, V77, P48

[5]

HILL TL, 1960, INTRO STATISTICAL ME, P363

[6]

MOODY NR, 1991, MATR RES SOC S P, V229, P1

[7] SEGREGATION AND DIFFUSION OF HYDROGEN IN GRAIN-BOUNDARIES OF PALLADIUM [J].

MUTSCHELE, T ;

KIRCHHEIM, R .

SCRIPTA METALLURGICA, 1987, 21 (02) :135-140

[8] HYDROGEN AS A PROBE FOR THE AVERAGE THICKNESS OF A GRAIN-BOUNDARY [J].

MUTSCHELE, T ;

KIRCHHEIM, R .

SCRIPTA METALLURGICA, 1987, 21 (08) :1101-1104

[9] MONTE-CARLO SIMULATIONS AT CONSTANT CHEMICAL-POTENTIAL AND PRESSURE [J].

RAY, JR ;

WOLF, RJ .

JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (03) :2263-2267

[10] SMALL-ANGLE NEUTRON-SCATTERING FROM NANOCRYSTALLINE PALLADIUM AS A FUNCTION OF ANNEALING [J].

SANDERS, PG ;

WEERTMAN, JR ;

BARKER, JG ;

SIEGEL, RW .

SCRIPTA METALLURGICA ET MATERIALIA, 1993, 29 (01) :91-96

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