We formulate statistical-mechanical inverse methods in order to determine optimized interparticle interactions that spontaneously produce target many-particle configurations. Motivated by advances that give experiment...
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We formulate statistical-mechanical inverse methods in order to determine optimized interparticle interactions that spontaneously produce target many-particle configurations. Motivated by advances that give experimentalists greater and greater control over colloidal interaction potentials, we propose and discuss two computational algorithms that search for optimal potentials for self-assembly of a given target configuration. The first optimizes the potential near the ground state and the second near the melting point. We begin by applying these techniques to assembling open structures in two dimensions (square and honeycomb lattices) using only circularly symmetric pair interaction potentials; we demonstrate that the algorithms do indeed cause self-assembly of the target lattice. Our approach is distinguished from previous work in that we consider (i) lattice sums, (ii) mechanical stability (phonon spectra), and (iii) annealed Monte Carlo simulations. We also devise circularly symmetric potentials that yield chainlike structures as well as systems of clusters.
A number of research groups and companies have succeeded in employing various SLS schemes to create low defect-density Si films on glass substrates for making high performance TFTs, In this paper, we first point out t...
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A number of research groups and companies have succeeded in employing various SLS schemes to create low defect-density Si films on glass substrates for making high performance TFTs, In this paper, we first point out that SLS can be utilized to just as effectively handle crystallization of thin Si films on polymer substrates, and then present preliminary results on high-performance circuits that are built using the materials.
A numerical analysis of the steady/pulsatile flow and macromolecular (such as LDL and Albumin) transport in curved blood vessels was carried out. The computational results predict that the vortex of the secondary fl...
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A numerical analysis of the steady/pulsatile flow and macromolecular (such as LDL and Albumin) transport in curved blood vessels was carried out. The computational results predict that the vortex of the secondary flow is time-dependent in the aortic arch. The concentration of macromolecule concentrates at the region of sharp curve, and the wall concentration at the outer part is higher than that at the inner part. Atherosclerosis and thrombosis are prone to develop in such regions with sharp flow.
作者:
Sipos, András A.sa128@hszk.bme.huDepartment of Mechanics
Materials and Structures and Center of Applied Mathematics and Computational Physics Budapest University of Technology and Economics 1111 Budapest Műegyetem rkp. 3 Hungary
A globally convergent iterative algorithm for computing the spatial deformations of elastic beams without tensile strength is presented. The core of the algorithm is an iterative scheme (consistent with the classical ...
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A globally convergent iterative algorithm for computing the spatial deformations of elastic beams without tensile strength is presented. The core of the algorithm is an iterative scheme (consistent with the classical Kirchhoff rod theory) for locating the neutral axis and thus for determining the curvature. We prove uniqueness and local stability for the general case and global stability for symmetric cross sections. The scheme is embedded in an iteration-free global boundary value problem solver (the so-called Parallel Hybrid Algorithm) to determine spatial equilibrium configurations. The obvious applications are steel reinforced concrete beams and columns, with or without pre-stressing. [ABSTRACT FROM AUTHOR]
We present an equation-free computational approach to the study of the coarse-grained dynamics of finite assemblies of nonidentical coupled oscillators at and near full synchronization. We use coarse-grained observabl...
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We present an equation-free computational approach to the study of the coarse-grained dynamics of finite assemblies of nonidentical coupled oscillators at and near full synchronization. We use coarse-grained observables which account for the (rapidly developing) correlations between phase angles and natural frequencies. Exploiting short bursts of appropriately initialized detailed simulations, we circumvent the derivation of closures for the long-term dynamics of the assembly statistics.
Based on a series of supercell density functional calculations of Fe-doped TiO2 both with and without O vacancy (VO), we show that VO plays an important role in determining the magnetic properties of the dilute magnet...
Based on a series of supercell density functional calculations of Fe-doped TiO2 both with and without O vacancy (VO), we show that VO plays an important role in determining the magnetic properties of the dilute magnetic semiconductors (DMS). Without VO, two Fe atoms in rutile lattice are ferromagnetically coupled except at a separation distance of 3.57Å, where they are antiferromagnetically coupled. The VO introduces two electrons into the conduction bands of rutile, which are either captured by the Fe dopants or form a shallow impurity state. The ferromagnetic (FM) coupling J between two Fe atoms is enhanced, through the enhancement of the FM double exchange if VO is sufficiently close.
Using a coarse molecular-dynamics (CMD) approach with an appropriate choice of coarse variable (order parameter), we map the underlying effective free-energy landscape for the melting of a crystalline solid. Implement...
Using a coarse molecular-dynamics (CMD) approach with an appropriate choice of coarse variable (order parameter), we map the underlying effective free-energy landscape for the melting of a crystalline solid. Implementation of this approach provides a means for constructing effective free-energy landscapes of structural transitions in condensed matter. The predictions of the approach for the thermodynamic melting point of a model silicon system are in excellent agreement with those of “traditional” techniques for melting-point calculations, as well as with literature values.
The conventional definition of spin current is incomplete and unphysical in describing spin transport in systems with spin-orbit coupling. A proper and measurable spin current is established in this study, which fits ...
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The conventional definition of spin current is incomplete and unphysical in describing spin transport in systems with spin-orbit coupling. A proper and measurable spin current is established in this study, which fits well into the standard framework of near-equilibrium transport theory and has the desirable property to vanish in insulators with localized orbitals. Experimental implications of our theory are discussed.
A one-dimensional network on which there are long-range bonds at lattice distances l>1 with the probability P(l)∝l−δ has been taken under consideration. We investigate the critical behavior of the Ising model on ...
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A one-dimensional network on which there are long-range bonds at lattice distances l>1 with the probability P(l)∝l−δ has been taken under consideration. We investigate the critical behavior of the Ising model on such a network where spins interact with these extra neighbors apart from their nearest neighbors for 0⩽δ<2. It is observed that there is a finite temperature phase transition in the entire range. For 0⩽δ<1, finite-size scaling behavior of various quantities are consistent with mean-field exponents while for 1⩽δ⩽2, the exponents depend on δ. The results are discussed in the context of earlier observations on the topology of the underlying network.
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