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101.
Random walk properties and correlation factors for diffusion via the vacancy mechanism are calculated and compared for various three-dimensional lattices. By applying the theory of random walks on an imperfect lattice, the correlation factor for impurity diffusion is calculated rigorously for the five jump frequency model in the fee lattice.Presented at the Symposium on Random Walks, Gaithersburg, MD, June 1982. 相似文献
102.
Poly(propylene adipate) (PPA) and poly(propylene isophthalate/adipate) (PPI-PPA) random copolymers of various compositions were synthesized in bulk and characterized in terms of chemical structure and molecular weight. Furthermore, the thermal behavior was examined by thermogravimetric analysis and differential scanning calorimetry. All the polymers showed a good thermal stability. At room temperature they appeared as semicrystalline materials, except the copolymers containing 20 and 30 mol% of PI units: the main effect of copolymerization was a lowering in the amount of crystallinity and a decrease of melting temperature with respect to homopolymers. The crystalline phase of PPI and PPA was evidenced at high content of propylene isophthalate or propylene adipate units, respectively. Amorphous samples were obtained after melt quenching and an increment of Tg as the content of PI units is increased was observed. This behavior was explained as due to the stiff phenylene groups in the polymeric chain. The Wood equation was found to describe well Tg-composition data. Lastly, the presence of a rigid-amorphous phase was evidenced in the copolymers, differently from PPA homopolymer. 相似文献
103.
A method is presented for the efficient computation of the representation matrices of the unitary group, U(n) in the Gelfand—Tsetlin basis (corresponding to the usual spin-symmetry adapted basis for an N electron CI). The present scheme is conceptually and computationally attractive in that it is formulated directly in terms of Weyl tableaux and also that it permits simultaneous basis vector generation and matrix element evaluation. In addition the basis vectors are ordered so that subsequent restriction to the three dimensional rotation group is facilitated. An illustrative example is also presented.Taken in part from a thesis submitted to the University of London in partial fulfilment of the requirements for the degree of PhD. 相似文献
104.
Rotation matrices were expressed in terms of Gaunt coefficients and complex spherical harmonics. The rotation matrices were calculated using two different ways. In the first, Gaunt coefficients and normalized complex spherical harmonics were directly calculated using binomial coefficients; in the second, Gaunt coefficients and complex spherical harmonics were recursively calculated. The methods were compared with respect to accuracy and computation time (CPU) for low and very high quantum numbers. 相似文献
105.
Pierre Devillard 《Journal of statistical physics》1991,62(1-2):373-387
In the quantum transport problem of a tight-binding Anderson model, the statistics of eigenvalues for the transfer matrices of thin disordered slabs is studied. Numerical simulations indicate that the probability distribution of nearest neighbor eigenvalue spacing and the
3 statistics have already become close to that of the Gaussian orthogonal ensemble for sample lengths of the order of the mean free path, provided that transverse localization effects are not important. An intuitive argument is given why this should occur independently of the size of the matrix. Therefore, good mixing of the channels is not essential for obtaining Gaussian orthogonal ensemble type statistics and universal conductance fluctuations. 相似文献
106.
In this paper we define wheel matrices and characterize some properties of matrices that are perfect but not balanced. A consequence of our results is that if a matrixA is perfect then we can construct a polynomial number of submatricesA
I,,A
n
ofA such thatA is balanced if and only if all the submatricesA
1,,A
n
ofA are perfect. This implies that if the problem of testing perfection is polynomially solvable, then so is the problem of testing balancedness.Partial support under NSF Grants DMS-8606188, ECS-8800281 and DDM-8800281. 相似文献
107.
Michel Talagrand 《Journal of Theoretical Probability》1992,5(2):327-331
Consider a (complex) Banach spaceX, such thatX CO, and vectors(X
i
)
i
ofX. Consider an independent standard normal sequence(g
i
)
i
. Then if anX-valued random Fourier series |k|
n
e
ikt
g
k
x
k
satisfies
相似文献
108.
Eric S. Key 《Journal of Theoretical Probability》1992,5(2):375-389
Suppose thatX
1,X
2,... is a sequence of iid random variables taking values inZ
+. Consider the random sequenceA(X)(X
1,X
2,...). LetY
n
be the number of integers which appear exactly once in the firstn terms ofA(X). We investigate the limit behavior ofn
–(1–)
Y
n
for [0, 1]. 相似文献
109.
Consider a simple random walk on
d
whose sites are colored black or white independently with probabilityq, resp. 1–q. Walk and coloring are independent. Letn
k
be the number of steps by the walk between itskth and (k+1) th visits to a black site (i.e., the length of itskth white run), and let
k
=E(n
k
)–q
–1. Our main result is a proof that (*) lim
k
k
d/2
k
= (1 –q)q
d/2 – 2(d/2)
d/2. Since it is known thatq
– 1
k
=E(n
1
n
k + 1 B) –E(n
1 B)E(n
k + 1 B), withB the event that the origin is black, (*) exhibits a long-time tail in the run length autocorrelation function. Numerical calculations of
k
(1k100) ind=1, 2, and 3 show that there is an oscillatory behavior of
k
for smallk. This damps exponentially fast, following which the power law sets in fairly rapidly. We prove that if the coloring is not independent, but is convex in the sense of FKG, then the decay of
k
cannot be faster than (*). 相似文献
110.
We analyze various processes where particles are added irreversibly and sequentially at the sites of infinite ladders or broader strips (i.e., on terraces) of adsorption sites. For sufficiently narrow strips or ladders, exact solution in closed form is possible for a variety of processes. Often this is most naturally achieved by mapping the process onto an equivalent one-dimensional process typically involvingcompetitive adsorption. We demonstrate this procedure for sequential adsorption with nearest-neighbor exclusion on a 2× square ladder. For other select processes on strips slightly too broad for exact solution, almost exact analysis is possible exploiting an empty-site shielding property. In this way, we determine a jamming coverage of 0.91556671 for random sequential adsorption of dimers on a 2× square ladder. For broader strips, we note that the complexity of these problems quickly approaches that for × lattices. 相似文献
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