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We perform a generalized-ensemble simulation of a small peptide taking the interactions among all atoms into account. From this simulation we obtain thermodynamic quantities over a wide range of temperatures. In particular, we show that the…

Chemical Physics · Physics 2009-10-31 Ulrich H. E. Hansmann , Masato Masuya , Yuko Okamoto

Thermo-responsive hydrogels are a promising material for creating controllable actuators for use in micro-scale devices, since they expand and contract significantly (absorbing or expelling fluid) in response to relatively small temperature…

Soft Condensed Matter · Physics 2022-08-18 Matthew D. Butler , Thomas D. Montenegro-Johnson

The phase structure of self-avoiding polymerized membranes is studied by extensive Hybrid Monte Carlo simulations. Several folding transitions from the flat to a collapsed state are found. Using a suitable order parameter and finite size…

Condensed Matter · Physics 2009-10-28 Christian Münkel , Dieter W. Heermann

Predicting the large-amplitude deformations of thin elastic sheets is difficult due to the complications of self-contact, geometric nonlinearities, and a multitude of low-lying energy states. We study a simple two-dimensional setting where…

The influence of thermal processing on the potential energy, atomic structure, and mechanical properties of metallic glasses is examined using molecular dynamics simulations. We study the three-dimensional binary mixture, which was first…

Soft Condensed Matter · Physics 2019-12-23 Nikolai V. Priezjev

A paradigm for the study of wrinkling in elastic sheet is the Lam\'{e} configuration, in which azimuthal wrinkles form in an annular sheet subjected to tensile loads at both edges. Since wrinkles are spatially extended, this instability…

Soft Condensed Matter · Physics 2026-05-13 Yang Liu , Sepideh Razavi , Pietro Cicuta , Dominic Vella , Alain Goriely

We study, using dissipative particle dynamics simulations, the effect of active lipid flip-flop on model fluid bilayer membranes. We consider both cases of symmetric as well as asymmetric flip-flops. Symmetric flip-flop leads to a steady…

Soft Condensed Matter · Physics 2009-11-13 Sanoop Ramachandran , P. B. Sunil Kumar , Mohamed Laradji

We report on a high statistics numerical study of the crystalline random surface model with extrinsic curvature on lattices of up to $64^2$ points. The critical exponents at the crumpling transition are determined by a number of methods all…

High Energy Physics - Lattice · Physics 2016-08-31 J. F. Wheater

Origami morphing, obtained with patches of piecewise smooth isometries separated by straight fold lines, is an exquisite art that has already received considerable attention in the mathematics and mechanics literature. Curved fold lines,…

Soft Condensed Matter · Physics 2024-12-25 Antonio DeSimone , Luciano Teresi

We present the crumpling transition in three-dimensional Euclidian space of dynamically triangulated random surfaces with edge extrinsic curvature and fixed topology of a sphere as well as simulations of a dynamically triangulated torus. We…

High Energy Physics - Theory · Physics 2009-10-22 Christian Münkel , Dieter W. Heermann

We examine the structural relaxation of glassy materials at finite temperatures, considering the effect of activated rearrangements and long-range elastic interactions. Our three-dimensional mesoscopic relaxation model shows how the…

Soft Condensed Matter · Physics 2023-12-20 Gieberth Rodriguez-Lopez , Kirsten Martens , Ezequiel E. Ferrero

We study the influence of thermal fluctuations on the buckling behavior of thin elastic capsules with spherical rest shape. Thermal fluctuations affect the buckling instability by two mechanisms. On the one hand, thermal fluctuations can…

Statistical Mechanics · Physics 2018-05-23 Lorenz Baumgarten , Jan Kierfeld

We study the effects of thermal fluctuations on symmetric tensionless heterogeneous (two-component) fluid membranes in a simple minimal model. Close to the critical point $T_c$ of the associated miscibility phase transition of the…

Statistical Mechanics · Physics 2015-06-23 Tirthankar Banerjee , Abhik Basu

Phase behaviors of two-dimensional (2D) systems constitute a fundamental topic in condensed matter and statistical physics. Although hard polygons and interactive point-like particles are well studied, the phase behaviors of more realistic…

Soft Condensed Matter · Physics 2024-08-06 Ruijian Zhu , Yanting Wang

Folding mechanisms are zero elastic energy motions essential to the deployment of origami, linkages, reconfigurable metamaterials and robotic structures. In this paper, we determine the fate of folding mechanisms when such structures are…

Soft Condensed Matter · Physics 2018-02-09 D. Zeb Rocklin , Vincenzo Vitelli , Xiaoming Mao

We investigate the crumpling transition on crystalline random surfaces with extrinsic curvature on lattices up to $64^2$. Our data are consistent with a second order phase transition and we find correlation length critical exponent…

High Energy Physics - Lattice · Physics 2009-10-22 J. F. Wheater , P. W. Stephenson

Temperature changes during the growth of lamellar polymer crystals give rise to steps on the surface of the crystals. It has recently been suggested that these steps could provide important insights into the mechanism of polymer…

Condensed Matter · Physics 2007-05-23 Jonathan Doye , Daan Frenkel

We perform numerical simulations of active ideal and self-avoiding tethered membranes. Passive ideal membranes with bending interactions are known to exhibit a continuous crumpling transition between a low temperature flat phase and a high…

Soft Condensed Matter · Physics 2023-06-26 M. C. Gandikota , A. Cacciuto

Curvature and mechanics are intimately connected for thin materials, and this coupling between geometry and physical properties is readily seen in folded structures from intestinal villi and pollen grains, to wrinkled membranes and…

Our previous molecular dynamic simulation studies of simple two-dimensional (2D) systems \cite{matt_big} suggested that both geometrical defects (localized, large-amplitude deviations from hexagonal ordering) and topological defects…

Statistical Mechanics · Physics 2007-05-23 Yves Lansac , Matthew A. Glaser , Noel A. Clark