Computer simulation of fracture using long range pair potentials

1984 ◽  
Vol 32 (3) ◽  
pp. 381-388 ◽  
Author(s):  
M. Mullins
1997 ◽  
Vol 11 (07) ◽  
pp. 919-928
Author(s):  
S. Romano

We have considered a classical spin system, consisting of 3-component unit vectors, associated with a two-dimensional lattice {uk, k∈ Z2}, and interacting via translationally invariant pair potentials, isotropic in spin space, and of the long-range form [Formula: see text] Here ∊ is a positive constant setting energy and temperature scales (i.e. T*=k B T /∊), P2 denotes the second Legendre polynomial, and xj are dimensionless coordinates of the lattice sites. Available theorems entail the existence of an ordering transition at finite temperature when 0 < σ < 2, and its absence when σ ≥ 2. We have studied the border case σ=2, by means of computer simulation. Similarly to the nearest-neighbour counterpart of the present model, and to other long-range models, we found evidence suggesting a transition to a low-temperature phase with slow decay of correlations and infinite susceptibility, i.e. a Berezhinski[Formula: see text]–Kosterlitz–Thouless-like transition; the transition temperature was estimated to be Θ=1.112 ± 0.005.


1995 ◽  
Vol 09 (25) ◽  
pp. 3345-3354 ◽  
Author(s):  
S. ROMANO

We have considered a classical spin system, consisting of 3-component unit vectors, associated with a one-dimensional lattice {uk, k ∈ Z}, and interacting via translationally invariant pair potentials, isotropic in spin space, and of the long-range form [Formula: see text] where ∊ is a positive constant setting energy and temperature scales (i.e. T* = kBT/∊). Extending previous rigorous results, one can prove the existence of an ordering transition at finite temperature when 0 < σ < 1, and its absence when σ ≥ 1. We have studied the border case σ = 1, by means of computer simulation. Similarly to the magnetic counterparts of the present model, we found evidence suggesting a transition to a low-temperature phase with slow decay of correlations and infinite susceptibility, i.e. a Berezhinskiǐ–Kosterlitz–Thouless-like transition; the transition temperature was estimated to be Θ = 0.475 ± 0.005.


1995 ◽  
Vol 09 (07) ◽  
pp. 859-873 ◽  
Author(s):  
N. ANGELESCU ◽  
S. ROMANO ◽  
V.A. ZAGREBNOV

We have considered a classical spin system, consisting of n-component unit vectors (n = 2, 3) {uk, k∈Zd}, associated with a d-dimensional lattice Zd, d=1, 2, and interacting via pair potentials, isotropic in spin space, and of the long-range form [Formula: see text] Here ∊ is a positive constant setting energy and temperature scales (i.e. T*=kBT/∈), and xk denotes dimensionless lattice-site coordinates. Extending previous rigorous results, one can prove the existence of an ordering transition at finite temperature when 0<σ< d, and its absence when σ≥d. We have studied the case defined by n=3, d=2, σ=1, by means of computer simulation, Molecular Field and Two-Site Cluster theory. The Two-Site Cluster approach was found to bring about a recognizable improvement over Molecular Field; on the other hand, comparison with the Lebwohl-Lasher lattice model shows that the long-range character of the interaction tends to increase the transition temperature towards its Molecular Field limit.


1996 ◽  
Vol 10 (09) ◽  
pp. 1095-1109 ◽  
Author(s):  
S. ROMANO

We have considered a classical spin system, consisting of n-component unit vectors (n = 2, 3), associated with a semi-infinite lattice in one dimension {uk, k ∈ N+}, and interacting via inhomogeneous pair potentials, in general anisotropic in spin space, and of the long-range ferromagnetic form [Formula: see text] here ∊ is a positive constant setting energy and temperature scales (i.e. T* = k B T/∊), a ≥ 0, b ≥ 0, and the symbols uj, α denote cartesian components of the spins. For some specific values of the two parameters a and b, and on the basis of available theoretical results, one can prove the existence of an ordering transition taking place at finite temperature, and obtain rigorous upper and lower bounds on the transition temperatures. This holds, for example, when n = 2, 3, a > b = 0 (the models studied in our previous paper), as well as for n = 2, a = b > 0 and n = 3, b > a = 0, where a continuous O(2) symmetry of the interaction is involved. We have studied these two latter cases by computer simulation, and made comparison with mean-field treatment; simulation results show a broad qualitative similarity between the four models, and a closer, quantitative one, between pairs of models with the same number of spin components, especially for n = 2.


1995 ◽  
Vol 09 (22) ◽  
pp. 1447-1459 ◽  
Author(s):  
S. ROMANO

We have considered a classical spin system, consisting of n-component unit vectors (n = 2, 3), associated with a semi-infinite lattice in one dimension {uk, k ∈ N+}, and interacting via inhomogeneous pair potentials, anisotropic in spin space, and of the long-range ferromagnetic form [Formula: see text] here ∊ is a positive constant setting energy and temperature scales (i.e. T* = k B T/∊), a > 0, b ≥ 0, and the symbols uj,α denote Cartesian components of the spins. On the basis of available theoretical results, one can prove the existence of an ordering transition at a finite temperature for n ≥ 2, b = 0, as well as upper and lower bounds on the transition temperatures. We have studied the two cases n = 2, 3, b = 0, by computer simulation, and made a comparison with the Mean Field treatment.


2007 ◽  
Vol 23 (08) ◽  
pp. 1241-1246 ◽  
Author(s):  
XIONG Hai-Ling ◽  
◽  
◽  
YUAN Yong-Zhi ◽  
LI Hang ◽  
...  

2011 ◽  
Vol 233-235 ◽  
pp. 1782-1785
Author(s):  
Zhong Chu ◽  
Guo Qun Zhao

Based on the microscope phase-field model,the evolution of atom morphology, the long range order(lro) parameter and concentration can be gotten, and atomic clustering and ordering during the precipitation process of Ni-Cr-Al alloy could be obtained. The Ni-14at.%Cr-15.5at.%Al alloy is studied and the temperature of precipitation are 973K. It was showed that the ordering of both Al and Cr atoms take place simultaneously during the precipitation process of Ni-Al-Cr alloy, Cr atoms transfer to the boundaries of L12phases, the domain of rich Cr atoms are formed. At the boundaries of L12phases, Cr atoms may substitute the Al sublattice, and the D022phases are formed.


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