Void lattice formation as a nonequilibrium phase transition

The evolution of a void ensemble in the presence of one-dimensionally migrating self-interstitials is considered, consistently taking into account the nucleation of voids via the stochastic accumulation of vacancies. Including the stochastic fluctuations of the fluxes of mobile defects caused by the random nature of diffusion jumps and cascade initiation, the evolution of the void ensemble is treated using the Fokker-Planck equation approach. A system instability signaling a nonequilibrium phase transition is found to occur when the mean free path of the one-dimensionally moving self-interstitials becomes comparable with the average distance between the voids at a sufficiently high void-number density. Due to the exponential dependence of the void nucleation probability on the net vacancy flux, the nucleation of voids is much more favored at the void lattice positions. Simultaneously, voids initially nucleated at positions where neighboring voids are nonaligned will also shrink away. These two processes leave the aligned voids to form a regular lattice. The shrinkage of nonaligned voids is not a usual thermodynamic effect, but is a kinetic effect caused entirely by the stochastic fluctuations in point-defect fluxes received by the voids. It is shown that the shrinkage of the nonaligned voids, and thus the formation of the void lattice, occurs only if the effective fraction of one-dimensional interstitials is small, less than about 1%. The formation of the void lattice in this way can be accomplished at a void swelling of below 1%, in agreement with experimental observation. The dominance of void nucleation at void-lattice positions practically nullifies the effect of void coalescence induced by the one-dimensional selfinterstitial transport.

[1]  C. Woo,et al.  Comments on Monte Carlo simulations of void-lattice formation , 2005 .

[2]  C. Woo,et al.  Master-equation for cascade damage modeling , 2005 .

[3]  J. Evans Simulations of the effects of 1-d interstitial diffusion on void lattice formation during irradiation , 2005 .

[4]  S. Dudarev,et al.  Segregation of voids in a spatially heterogeneous dislocation microstructure , 2004 .

[5]  Roger E. Stoller,et al.  MD description of damage production in displacement cascades in copper and α-iron , 2003 .

[6]  H. Heinisch,et al.  Kinetic Monte Carlo simulations of void lattice formation during irradiation , 2003 .

[7]  R. Car,et al.  Molecular dynamics study of the threshold displacement energy in vanadium , 2003 .

[8]  R. Car,et al.  Interatomic potential for vanadium suitable for radiation damage simulations , 2003 .

[9]  S. Dudarev,et al.  Heterogeneous void swelling near grain boundaries in irradiated materials , 2003 .

[10]  N. Ghoniem,et al.  Effects of glissile interstitial clusters on microstructure self-organization in irradiated materials , 2003 .

[11]  C. Woo,et al.  Low-dimension self-interstitial diffusion in α-Zr , 2003 .

[12]  David Bacon,et al.  Statistical analysis of cluster production efficiency in MD simulations of cascades in copper , 2002 .

[13]  H. Heinisch,et al.  The Effects of One-dimensional Migration of Self-interstitial Clusters on the Formation of Void Lattices , 2002 .

[14]  Graeme Ackland,et al.  Self-interstitials in V and Mo , 2002 .

[15]  C. Woo,et al.  Void nucleation at elevated temperatures under cascade-damage irradiation , 2002 .

[16]  A. Almazouzi,et al.  Primary damage formation in molybdenum: A computer simulation study , 2002 .

[17]  S. Dudarev Inhomogeneous nucleation and growth of cavities in irradiated materials , 2000 .

[18]  Stanislav I Golubov,et al.  Stability and mobility of defect clusters and dislocation loops in metals , 2000 .

[19]  Fei Gao,et al.  The primary damage state in fcc, bcc and hcp metals as seen in molecular dynamics simulations , 2000 .

[20]  C. Woo,et al.  Applicability of the conventional master equation for the description of microstructure evolution under cascade-producing irradiation , 1999 .

[21]  T. D. Rubia,et al.  A molecular dynamics simulation study of displacement cascades in vanadium , 1999 .

[22]  R. Pasianot,et al.  A many body potential for α-Zr. Application to defect properties , 1999 .

[23]  C. Woo,et al.  Fluctuations of point-defect fluxes to sinks under cascade damage irradiation , 1996 .

[24]  Ghoniem,et al.  Theory and numerical simulations of defect ordering in irradiated materials. , 1996, Physical review. B, Condensed matter.

[25]  C. Woo,et al.  Production bias due to clustering of point defects in irradiation-induced cascades , 1992 .

[26]  P. Hähner,et al.  Self-Organization of Defect Structures under High-Temperature Irradiation-A Theory of Void Lattices , 1992 .

[27]  M. Zaiser,et al.  Self-Organization of Defect Structures under Low-Temperature Irradiation-A Theory of Stacking-Fault-Tetrahedron Lattices , 1992 .

[28]  C. Woo,et al.  The Concept of Production Bias and Its Possible Role in Defect Accumulation under Cascade Damage Conditions , 1990 .

[29]  A. Semenov,et al.  Spatially ordered void ensemble states at high irradiation temperatures , 1990 .

[30]  C. Woo Theory of irradiation deformation in non-cubic metals: Effects of anisotropic diffusion , 1988 .

[31]  C. Woo,et al.  The influence of temperature on void-lattice formation and swelling , 1987 .

[32]  A. Horsewell,et al.  Void hyperlattices in high-purity aluminium irradiated with fast neutrons , 1987 .

[33]  C. Woo,et al.  LIMITED GROWTH, DISPLACIVE STABILITY AND SIZE UNIFORMITY OF VOIDS IN A VOID LATTICE , 1986 .

[34]  A. Semenov,et al.  Two Ways of Void Ordering Under Irradiation , 1986 .

[35]  P. Ehrhart,et al.  Basic Defects in Metals , 1986 .

[36]  C. Woo,et al.  A theory of void-lattice formation , 1985 .

[37]  J. Evans A computer simulation of the two-dimensional SIA diffusion model for void lattice formation , 1985 .

[38]  J. Evans Void and bubble lattice formation in molybdenum: A mechanism based on two-dimensional self-interstitial diffusion , 1983 .

[39]  L. T. Chadderton,et al.  Anion voidage and the void superlattice in electron irradiated Caf2 , 1983 .

[40]  K. Krishan Void ordering in metals during irradiation , 1982 .

[41]  K. Krishan Invited review article ordering of voids and gas bubbles in radiation environments , 1982 .

[42]  B. Loomis,et al.  Effects of irradiation-temperature change on void growth and shrinkage in ion-irradiated Nb , 1981 .

[43]  J. Stubbins,et al.  Void swelling behavior of vanadium ion irradiated molybdenum , 1981 .

[44]  G. Kulcinski,et al.  Observations on ordered voids in molybdenum , 1979 .

[45]  B. Loomis,et al.  Void ordering in ion-irradiated Nb and Nb-1% Zr , 1977 .

[46]  B. Loomis,et al.  Void swelling of Nb and Nb-1% Zr induced by 58Ni+ bombardment , 1975 .

[47]  V. Sikka,et al.  Damage in neutron-irradiated molybdenum: (I). Characterization of as-irradiated microstructure , 1974 .

[48]  J. L. Brimhall,et al.  Void swelling in ion-bombarded molybdenum , 1974 .

[49]  A. Risbet,et al.  Ordre de cavites dans le magnesium et l'aluminium irradies aux neutrons rapides , 1974 .

[50]  V. Tewary Theory of defect superlattices in crystals with application to void/vacancy and nitrogen interstitial lattices in tantalum and vanadium , 1973 .

[51]  B. Eyre,et al.  The damage structure formed in molybdenum by irradiation in a fast reactor at 650°c , 1973 .

[52]  A. Lucas Plasmon Cohesive Energy of Voids and Void Lattices in Irradiated Metals , 1973 .

[53]  A. Stoneham Theory of regular arrays of defects: The void lattice , 1971 .

[54]  J. H. Evans,et al.  Observations of a Regular Void Array in High Purity Molybdenum irradiated with 2 MeV Nitrogen Ions , 1971, Nature.

[55]  J. Nœggerath XXIX. On the volcanic origin of the rock-salt formation , 1826 .