Searcharxiv⌕ Search
Home/Archive/arXiv

arXiv · cond-mat/0411366

Computer simulation of the phase diagram for a fluid confined in a fractal and disordered porous material

V. De Grandis·P. Gallo·M. Rovere
View original source ↗Read source document ↗Export metadata ↓

Abstract

We present a grand canonical Monte Carlo simulation study of the phase diagram of a Lennard-Jones fluid adsorbed in a fractal and highly porous aerogel. The gel environment is generated from an off-lattice diffusion limited cluster-cluster aggregation process. Simulations have been performed with the multicanonical ensemble sampling technique. The biased sampling function has been obtained by histogram reweighting calculations. Comparing the confined and the bulk system liquid-vapor coexistence curves we observe a decrease of both the critical temperature and density in qualitative agreement with experiments and other Monte Carlo studies on Lennard-Jones fluids confined in random matrices of spheres. At variance with these numerical studies we do not observe upon confinement a peak on the liquid side of the coexistence curve associated with a liquid-liquid phase coexistence. In our case only a shouldering of the coexistence curve appears upon confinement. This shoulder can be associated with high density fluctuations in the liquid phase. The coexisting vapor and liquid phases in our system show a high degree of spatial disorder and inhomogeneity.

Explore related subjects

cond-mat.softcond-mat.stat-mech

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

V. De Grandis, P. Gallo, M. Rovere. 2004-11-14. Computer simulation of the phase diagram for a fluid confined in a fractal and disordered porous material. https://doi.org/10.1103/physreve.70.061505

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

arXiv2026

Dynamic clustering of active chemotactic Janus particles

Modeling self-propulsion as an emergent diffusiophoretic effect, we come back to the dynamic clustering experiment of active Janus colloids. Working in the original three-dimensional geometry, and using the chemical solute concentration as a control parameter, we find that the dynamic clustering region occupies a robust fraction of the phase diagram. This behavior is rationalized using a linear stability analysis that efficiently captures the instability of the gas phase to dynamic clusters. We also find that dynamic clustering results from the combined effects of a Keller-Segel collapse and of a motility-induced phase separation, either being arrested by the orientational coupling to the chemical field in agreement with previous work.

cond-mat.soft↗
arXiv2026

Multi-Fidelity Machine Learning for Predicting Startup Stress Growth and Strain Hardening in Wormlike Micellar Solutions

Wormlike micellar solutions exhibit formulation-dependent nonlinear startup responses, including stress overshoot, undershoot, and strain hardening, making prediction across compositions and shear rates challenging. We developed a multi-fidelity machine-learning framework to predict stress-growth curves in cetylpyridinium chloride (CPyCl)-based wormlike micelles from sparse experimental measurements. The framework combines a low-fidelity analytical model describing the overall startup response with high-fidelity experimental data capturing formulation-specific nonlinear features. This approach addresses the limited and uneven coverage of salt chemistry, concentration, and shear rate without relying solely on data-intensive neural-network training. The trained model predicts complete stress-growth responses at untested shear rates and enables extraction of strain-hardening characteristics from interpolated curves. By augmenting sparse rheological measurements, the framework provides a basis for exploring relationships among formulation variables, linear viscoelastic properties, and nonlinear startup behavior, while supporting more efficient characterization of wormlike micellar solutions.

cond-mat.soft↗
arXiv2026

Topology Does Not Determine Defect Mobility in Active Polar Matter

Topological defects are commonly characterized by their charge, although defects with the same charge can have different internal morphologies. We study the annihilation of isolated $\pm1$ defect pairs in a two-dimensional compressible Toner--Tu model, varying the morphology of the $+1$ defect while keeping the initial charges and separation fixed. Activity produces a morphology-dependent mobility asymmetry: reversing the radial orientation of an aster reverses which defect travels farther, and asters show the strongest response. An early-time analysis reveals that the initial morphology selects distinct density modes whose gradients subsequently feed back on the polarization. Consistently, removing the density-gradient coupling strongly suppresses the asymmetry. These results establish defect morphology, in addition to topological charge, as a dynamical variable governing defect-pair motion in active polar matter.

cond-mat.soft↗