scholarly journals Atomistic Simulation of Radiation-Induced Amorphization of the B2 Ordered Intermetallic Compound NiTi

1990 ◽  
Vol 201 ◽  
Author(s):  
Michael J. Sabochick ◽  
Nghi Q. Lam

AbstractAmorphization of the B2 intermetallic compound NiTi under electron irradiation has been investigated using molecular dynamics. The effect of irradiation was simulated using two processes: 1) Ni and Ti atoms were exchanged, resulting in chemical disorder, and 2) Frenkel pairs were introduced, leading to the formation of stable point defects and also chemical disorder upon mutual recombination of interstitials and vacancies. After ∼0.1 exchanges per atom, the first process resulted in an energy increase of approximately 0.11 eV/atom and a volume increase of 1.91%. On the other hand, after introducing ∼0.5 Frenkel pairs per atom, the second process led to smaller increases of 0.092 eV/atom in energy and 1.43% in volume. The calculated radial distribution functions (RDFs) were essentially identical to each other and to the calculated RDF of a quenched liquid. The structure factor, however, showed that long-range order was still present after atom exchanges, while the introduction of Frenkel pairs resulted in the loss of long-range order. It was concluded that point defects are necessary for amorphization to occur in NiTi, although chemical disorder alone is capable of storing enough energy to make the transition possible.

2002 ◽  
Vol 753 ◽  
Author(s):  
Robert W. Cahn

ABSTRACTThis short introductory overview focuses on point defects and their practical implications, on antiphase domains, and also on a feature that is not always perceived as a defect – imperfect long-range order. All these defect types have consequences for mechanical behavior of various kinds; imperfect LRO also affects the superconducting behavior of A15s. Other unfamiliar defects in intermetallics, to be outlined, include ‘rattling atoms’ in certain thermoelectric materials. Geometry and dynamics of dislocations in intermetallics are left to other contributors.


1996 ◽  
Vol 54 (5) ◽  
pp. 3142-3150 ◽  
Author(s):  
Eric Camus ◽  
Christian Abromeit ◽  
Françoise Bourdeau ◽  
Nelja Wanderka ◽  
Heinrich Wollenberger

1988 ◽  
Vol 100 ◽  
Author(s):  
P. R. Okamoto ◽  
L. E. Rehn ◽  
J. Pearson ◽  
R. Bhadra ◽  
M. Grinsditch

ABSTRACTTransmission electron microscopy (TEN) and Brillouin scattering methods were used to determine the lattice dilatation and shear elastic constant as a function of the degree of long-range order during room temperature irradiation of Zr3Al with 1.0-MeV Kr+. The results indicate that the onset of amorphization in Zr3Al is triggered by an elastic shear instability, and that the instability is directly related to the volume dilatation associated with the destruction of long-range order. It is also shown that the volume dependence of the shear elastic constant associated with radiation-induced disordering and amorphization is virtually identical to that associated with the heating to melting of many metals.


Author(s):  
Norman J. Morgenstern Horing

Chapter 13 addresses Bose condensation in superfluids (and superconductors), which involves the field operator ψ‎ having a c-number component (<ψ(x,t)>≠0), challenging number conservation. The nonlinear Gross-Pitaevskii equation is derived for this condensate wave function<ψ>=ψ−ψ˜, facilitating identification of the coherence length and the core region of vortex motion. The noncondensate Green’s function G˜1(1,1′)=−i<(ψ˜(1)ψ˜+(1′))+> and the nonvanishing anomalous correlation function F˜∗(2,1′)=−i<(ψ˜+(2)ψ˜+(1′))+> describe the dynamics and elementary excitations of the non-condensate states and are discussed in conjunction with Landau’s criterion for viscosity. Associated concepts of off-diagonal long-range order and the interpretation of <ψ> as a superfluid order parameter are also introduced. Anderson’s Bose-condensed state, as a phase-coherent wave packet superposition of number states, resolves issues of number conservation. Superconductivity involves bound Cooper pairs of electrons capable of Bose condensation and superfluid behavior. Correspondingly, the two-particle Green’s function has a term involving a product of anomalous bound-Cooper-pair condensate wave functions of the type F(1,2)=−i<(ψ(1)ψ(2))+>≠0, such that G2(1,2;1′,2′)=F(1,2)F+(1′,2′)+G˜2(1,2;1′,2′). Here, G˜2 describes the dynamics/excitations of the non-superfluid-condensate states, while nonvanishing F,F+ represent a phase-coherent wave packet superposition of Cooper-pair number states and off-diagonal long range order. Employing this form of G2 in the G1-equation couples the condensed state with the non-condensate excitations. Taken jointly with the dynamical equation for F(1,2), this leads to the Gorkov equations, encompassing the Bardeen–Cooper–Schrieffer (BCS) energy gap, critical temperature, and Bogoliubov-de Gennes eigenfunction Bogoliubons. Superconductor thermodynamics and critical magnetic field are discussed. For a weak magnetic field, the Gorkov-equations lead to Ginzburg–Landau theory and a nonlinear Schrödinger-like equation for the pair wave function and the associated supercurrent, along with identification of the Cooper pair density. Furthermore, Chapter 13 addresses the apparent lack of gauge invariance of London theory with an elegant variational analysis involving re-gauging the potentials, yielding a manifestly gauge invariant generalization of the London equation. Consistency with the equation of continuity implies the existence of Anderson’s acoustic normal mode, which is supplanted by the plasmon for Coulomb interaction. Type II superconductors and the penetration (and interaction) of quantized magnetic flux lines are also discussed. Finally, Chapter 13 addresses Josephson tunneling between superconductors.


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