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Joan Adler

Publications and source records attributed to Joan Adler.

16 recordsLinked to original sources
arXiv2012

Morphological Similarities between Single-walled Nanotubes and Tubelike Structures of Polymers with Strong Adsorption Affinity to Nanowires

In their tubelike phase, nanowire-adsorbed polymers exhibit strong structural similarities to morphologies known from single-walled carbon (hexagonal) and boron (triangular) nanotubes. Since boron/boron nitride tubes require some disorder for stability the triangular polymer tubes provide a closer analog to the carbon tubes. By means of computer simulations of both two and three dimensional versions of a coarse-grained bead-spring model for the polymers, we investigate their structural properties and make a detailed comparison with structures of carbon nanotubes.

cond-mat.soft↗
arXiv2011

Accurate modeling approach for the structural comparison between monolayer polymer tubes and single-walled nanotubes

In a recent computational study, we found highly structured ground states for coarse-grained polymers adsorbed to ultrathin nanowires in a certain model parameter region. Those tubelike configurations show, even at a first glance, exciting morphological similarities to known atomistic nanotubes such as single-walled carbon nanotubes. In order to explain those similarities in a systematic way, we performed additional detailed and extensive simulations of coarse-grained polymer models with various parameter settings. We show this here and explain why standard geometrical models for atomistic nanotubes are not suited to interpret the results of those studies. In fact, the general structural behavior of polymer nanotubes, as well as specific previous observations, can only be explained by applying recently developed polyhedral tube models.

cond-mat.soft↗
arXiv2006

Path-integral Monte Carlo study of phonons in the bcc phase of Helium-3

Using Path Integral Monte Carlo and the Maximum Entropy method, we calculate the dynamic structure factor of solid He-3 in the bcc phase at a finite temperature of T = 1.6 K and a molar volume of 21.5 cm^3. From the single phonon dynamic structure factor, we obtain both the longitudinal and transverse phonon branches along the main crystalline directions, [001], [011] and [111]. Our results are compared with other theoretical predictions and available experimental data.

cond-mat.mtrl-sci↗
arXiv2005

The influence of boundaries on high pressure melting experiments

At low pressure, free surfaces play a crucial role in the melting transition. Under pressure, the surface of the sample is acted upon by some pressure transmitting medium. To examine the effect of this medium on melting, we performed Monte Carlo simulations of a system of argon atoms in the form of a slab with two boundaries. We examined two cases, one with a soft and the other with a rigid medium at the boundaries. We found that in the presence of a rigid medium, melting resembles the mechanical lattice instability found in a surface-free solid. With a soft medium at the boundary, melting begins at the surface and at a lower temperature. The relevance of these results to experiment is discussed.

cond-mat.stat-mech↗
arXiv2005

Monte Carlo study of the Pure and Dilute Baxter-Wu model

We studied the pure and dilute Baxter-Wu (BW) models using the Wang-Landau (WL) sampling method to calculate the Density-Of-States (DOS). We first used the exact result for the DOS of the Ising model to test our code. Then we calculated the DOS of the dilute Ising model to obtain a phase diagram, in good agreement with previous studies. We calculated the energy distribution, together with its first, second and fourth moments, to give the specific heat and the energy fourth order cumulant, better known as the Binder parameter, for the pure BW model. For small samples, the energy distribution displayed a doubly peaked shape. Finite size scaling analysis showed as expected reciprocal scaling of the positions of the peaks with L. The energy distribution yielded the expected $α=2/3$ critical exponent for the specific heat. The Binder parameter minimum appeared to scale with lattice size L with an exponent $θ_B$ equal to the specific heat exponent. Its location (temperature) showed a large correction-to-scaling term $θ_1=0.248\pm 0.025$. For the dilute BW model we found a clear crossover to a single peak in the energy distribution even for small sizes and the expected $α=0$ was recoverd.

cond-mat.stat-mech↗
arXiv2005

Path Integral Monte Carlo study of phonons in the bcc phase of $^4$He

Using Path Integral Monte Carlo and the Maximum Entropy method, we calculate the dynamic structure factor of solid $^4$He in the bcc phase at a finite temperature of T = 1.6 K and a molar volume of 21 cm$^3$. Both the single-phonon contribution to the dynamic structure factor and the total dynamic structure factor are evaluated. From the dynamic structure factor, we obtain the phonon dispersion relations along the main crystalline directions, [001], [011] and [111]. We calculate both the longitudinal and transverse phonon branches. For the latter, no previous simulations exist. We discuss the differences between dispersion relations resulting from the single-phonon part vs. the total dynamic structure factor. In addition, we evaluate the formation energy of a vacancy.

cond-mat.stat-mech↗
arXiv2003

Damage along an ion track in diamond: a computer simulation

We present tight-binding molecular dynamics simulations of the structural modifications that result from the "thermal spike" that occurs during the passage of a heavy fast ion through a thin diamond or amorphous carbon layer, and the subsequent regrowth upon cooling. The thermal spike and cooling down are simulated by locally heating and then quenching a small region of carbon, surrounded either by diamond or by a mostly three-fold bonded amorphous carbon network. For the case of the thermal spike in diamond we find that if the ``temperature'' (kinetic energy of the atoms) at the center of the thermal spike is high enough, an amorphous carbon region containing a large fraction of threefold coordinated C atoms (two-fold bonded) remains within the diamond network after cooling. The structure of this amorphous layer depends very strongly on the ``temperature'' of heating and on the dimensions of the thermal spike. Scaling is found between curves of the dependence of the percentage of two-fold bonded atoms in the region of the thermal spike on the heating ``temperature'' for different volumes. When the thermal spike occurs in an initially amorphous sample the structure of the damaged region after cooling exhibits the above dependencies as well as being a function of the structure of the original amorphous carbon layers.

cond-mat.dis-nn↗
arXiv2003

Molecular dynamics study of melting of a bcc metal-vanadium II : thermodynamic melting

We present molecular dynamics simulations of the thermodynamic melting transition of a bcc metal, vanadium using the Finnis-Sinclair potential. We studied the structural, transport and energetic properties of slabs made of 27 atomic layers with a free surface. We investigated premelting phenomena at the low-index surfaces of vanadium; V(111), V(001), and V(011), finding that as the temperature increases, the V(111) surface disorders first, then the V(100) surface, while the V(110) surface remains stable up to the melting temperature. Also, as the temperature increases, the disorder spreads from the surface layer into the bulk, establishing a thin quasiliquid film in the surface region. We conclude that the hierarchy of premelting phenomena is inversely proportional to the surface atomic density, being most pronounced for the V(111) surface which has the lowest surface density.

cond-mat.stat-mech↗
arXiv2003

Molecular dynamics study of melting of a bcc metal-vanadium I: mechanical melting

We present molecular dynamics simulations of the homogeneous (mechanical) melting transition of a bcc metal, vanadium. We study both the nominally perfect crystal as well as one that includes point defects. According to the Born criterion, a solid cannot be expanded above a critical volume, at which a 'rigidity catastrophe' occurs. This catastrophe is caused by the vanishing of the elastic shear modulus. We found that this critical volume is independent of the route by which it is reached whether by heating the crystal, or by adding interstitials at a constant temperature which expand the lattice. Overall, these results are similar to what was found previously for an fcc metal, copper. The simulations establish a phase diagram of the mechanical melting temperature as a function of the concentration of interstitials. Our results show that the Born model of melting applies to bcc metals in both the nominally perfect state and in the case where point defects are present.

cond-mat.mtrl-sci↗
arXiv2003

Efficient Hopfield pattern recognition on a scale-free neural network

Neural networks are supposed to recognise blurred images (or patterns) of $N$ pixels (bits) each. Application of the network to an initial blurred version of one of $P$ pre-assigned patterns should converge to the correct pattern. In the "standard" Hopfield model, the $N$ "neurons'' are connected to each other via $N^2$ bonds which contain the information on the stored patterns. Thus computer time and memory in general grow with $N^2$. The Hebb rule assigns synaptic coupling strengths proportional to the overlap of the stored patterns at the two coupled neurons. Here we simulate the Hopfield model on the Barabasi-Albert scale-free network, in which each newly added neuron is connected to only $m$ other neurons, and at the end the number of neurons with $q$ neighbours decays as $1/q^3$. Although the quality of retrieval decreases for small $m$, we find good associative memory for $1 \ll m \ll N$. Hence, these networks gain a factor $N/m \gg 1$ in the computer memory and time.

cond-mat.stat-mech↗
arXiv2001

Atomistic Study of Structural Correlations at a Liquid-Solid Interface

Structural correlations at a liquid-solid interface were explored with molecular dynamics simulations of a model aluminium system using the Ercolessi-Adams potential and up to 4320 atoms. Substrate atoms were pinned to their equilibrium crystalline positions while liquid atoms were free to move. The density profile at the interface was investigated for different substrate crystallographic orientations and temperatures. An exponential decay of the density profile was observed, $ρ(z) \sim \rm{e}^{- κz}$, leading to the definition of $κ$ as a quantitative measure of the ordering at the liquid solid interface. A direct correlation between the amount of ordering in the liquid phase and the underlying substrate orientation was found.

cond-mat.mtrl-sci↗
arXiv2001

Ordering at Solid-Liquid Interfaces Between Dissimilar Materials

In an earlier report we explored structural correlations at a liquid-solid interface with molecular dynamics simulations of a model aluminium system using the Ercolessi-Adams potential and up to 4320 atoms. Substrate atoms were pinned to their equilibrium fcc crystalline positions while liquid atoms were free to move. A direct correlation between the amount of ordering in the liquid phase and the underlying substrate orientation was found. In the present paper we extend this study to the case of a fixed bcc substrate in contact with liquid aluminium. We find surprisingly similar results for the density profiles of both (100) and (110) substrates. However, there is a far greater in-plane ordering in the (100) than for the (110) system. For the (100) substrates we observe adsorption of liquid atoms into the terminating plane of the bcc (100) substrate, effectivel

cond-mat.mtrl-sci↗
arXiv2001

Influence of Point Defects on the Shear Elastic Coefficients and on the Melting Temperature of Copper

We present molecular dynamics simulations of the influence of point defects on the shear elastic coefficients of copper. We find that vacancies do not influence these coefficients at all, while the introduction of interstitials causes a large reduction in the elastic coefficients. The simulations establish a phase diagram of the melting temperature as a function of the density of interstitials. A crystal having no free surface undergoes bulk mechanical melting as a result of the vanishing of C'=(C/sub/11-C/sub/12)/2 once the specific volume reaches a critical value, equal to the experimental volume of liquid phase. This critical volume is history independent, in the sense that it can be reached either by heating the crystal or by adding defects at a constant temperature. These results generalize the Born model of melting for the case where point defects are present.

cond-mat.mtrl-sci↗
arXiv1999

High-Temperature Series Analysis of the Free Energy and Susceptibility of the 2D Random-Bond Ising Model

We derive high-temperature series expansions for the free energy and susceptibility of the two-dimensional random-bond Ising model with a symmetric bimodal distribution of two positive coupling strengths J_1 and J_2 and study the influence of the quenched, random bond-disorder on the critical behavior of the model. By analysing the series expansions over a wide range of coupling ratios J_2/J_1, covering the crossover from weak to strong disorder, we obtain for the susceptibility with two different methods compelling evidence for a singularity of the form $χ\sim t^{-7/4} |\ln t|^{7/8}$, as predicted theoretically by Shalaev, Shankar, and Ludwig. For the specific heat our results are less convincing, but still compatible with the theoretically predicted log-log singularity.

cond-mat↗
arXiv1996

High Temperature Expansion Study of the Nishimori multicritical Point in Two and Four Dimensions

We study the two and four dimensional Nishimori multicritical point via high temperature expansions for the $\pm J$ distribution, random-bond, Ising model. In $2d$ we estimate the the critical exponents along the Nishimori line to be $γ=2.37\pm 0.05$, $ν=1.32\pm 0.08$. These, and earlier $3d$ estimates $γ=1.80\pm 0.15$, $ν=0.85\pm 0.08$ are remarkably close to the critical exponents for percolation, which are known to be $γ=43/18$, $ν=4/3$ in $d=2$ and $γ=1.805\pm0.02$ and $ν=0.875\pm 0.008$ in $d=3$. However, the estimated $4d$ Nishimori exponents $γ=1.80\pm 0.15$, $ν=1.0\pm 0.1$, are quite distinct from the $4d$ percolation results $γ=1.435\pm 0.015$, $ν=0.678\pm 0.05$.

cond-mat↗