اشترك بالحزمة الذهبية واحصل على وصول غير محدود شمرا أكاديميا
تسجيل مستخدم جديدStable glassy configurations of the Kob-Andersen model using swap Monte Carlo
82
0
0.0
(
0
)
اسأل ChatGPT حول البحث
ﻻ يوجد ملخص باللغة العربية
The swap Monte Carlo algorithm allows the preparation of highly stable glassy configurations for a number of glass-formers, but is inefficient for some models, such as the much studied binary Kob-Andersen (KA) mixture. We have recently developed generalisations to the KA model where swap can be very effective. Here, we show that these models can in turn be used to considerably enhance the stability of glassy configurations in the original KA model at no computational cost. We successfully develop several numerical strategies both in and out of equilibrium to achieve this goal and show how to optimise them. We provide several physical measurements indicating that the proposed algorithms considerably enhance mechanical and thermodynamic stability in the KA model, including a transition towards brittle yielding behaviour. Our results thus pave the way for future studies of stable glasses using the KA model.
قيم البحث
اقرأ أيضاً
We present a theoretical discussion of the reversible parking problem, which appears to be one of the simplest systems exhibiting glassy behavior. The existence of slow relaxation, nontrivial fluctuations, and an annealing effect can all be understoo
d by recognizing that two different time scales are present in the problem. One of these scales corresponds to the fast filling of existing voids, the other is associated with collective processes that overcome partial ergodicity breaking. The results of the theory are in a good agreement with simulation data; they provide a simple qualitative picture for understanding recent granular compaction experiments and other glassy systems.
The binary Kob-Andersen (KA) Lennard-Jones mixture is the standard model for computational studies of viscous liquids and the glass transition. For very long simulations the viscous KA system crystallizes, however, by phase separating into a pure A p
article phase forming an FCC crystal. We present the thermodynamic phase diagram for KA-type mixtures consisting of up to 50% small (B) particles showing, in particular, that the melting temperature of the standard KA system at liquid density $1.2$ is $1.028(3)$ in A particle Lennard-Jones units. At large B particle concentrations the system crystallizes into the CsCl crystal structure. The eutectic corresponding to the FCC and CsCl structures is cut-off in a narrow interval of B particle concentrations around 26% at which the bipyramidal orthorhombic ${rm PuBr_3}$ structure is the thermodynamically stable phase. The melting temperatures variation with B particle concentration at two other pressures, as well as at the constant density $1.2$, is estimated from the simulations at pressure $10.19$ using isomorph theory. Our data demonstrate approximate identity between the melting temperature and the onset temperature below which viscous dynamics appears. Finally, the nature of the solid-liquid interface is briefly discussed.
We present the study of the landscape structure of athermal soft spheres both as a function of the packing fraction and of the energy. We find that, on approaching the jamming transition, the number of different configurations available to the system
has a steep increase and that a hierarchical organization of the landscape emerges. We use the knowledge of the structure of the landscape to predict the values of thermodynamic observables on the edge of the transition.
We investigate the scaling of the interfacial adsorption of the two-dimensional Blume-Capel model using Monte Carlo simulations. In particular, we study the finite-size scaling behavior of the interfacial adsorption of the pure model at both its firs
t- and second-order transition regimes, as well as at the vicinity of the tricritical point. Our analysis benefits from the currently existing quite accurate estimates of the relevant (tri)critical-point locations. In all studied cases, the numerical results verify to a level of high accuracy the expected scenarios derived from analytic free-energy scaling arguments. We also investigate the size dependence of the interfacial adsorption under the presence of quenched bond randomness at the originally first-order transition regime (disorder-induced continuous transition) and the relevant self-averaging properties of the system. For this ex-first-order regime, where strong transient effects are shown to be present, our findings support the scenario of a non-divergent scaling, similar to that found in the original second-order transition regime of the pure model.
Population annealing is a recent addition to the arsenal of the practitioner in computer simulations in statistical physics and beyond that is found to deal well with systems with complex free-energy landscapes. Above all else, it promises to deliver
unrivaled parallel scaling qualities, being suitable for parallel machines of the biggest calibre. Here we study population annealing using as the main example the two-dimensional Ising model which allows for particularly clean comparisons due to the available exact results and the wealth of published simulational studies employing other approaches. We analyze in depth the accuracy and precision of the method, highlighting its relation to older techniques such as simulated annealing and thermodynamic integration. We introduce intrinsic approaches for the analysis of statistical and systematic errors, and provide a detailed picture of the dependence of such errors on the simulation parameters. The results are benchmarked against canonical and parallel tempering simulations.
سجل دخول لتتمكن من نشر تعليقات
التعليقات
جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
