A5073226150- Material Dynamics and Properties
- Cellular and Composite Structures
- Pickering emulsions and particle stabilization
- Theoretical and Computational Physics
- Phase Equilibria and Thermodynamics
- Polymer composites and self-healing
- Thermal properties of materials
- Quasicrystal Structures and Properties
- High-pressure geophysics and materials
- Advanced Thermodynamics and Statistical Mechanics
- Micro and Nano Robotics
- Advanced Physical and Chemical Molecular Interactions
- Advanced Materials and Mechanics
- Adhesion, Friction, and Surface Interactions
- Advanced Thermoelectric Materials and Devices
- Photonic Crystals and Applications
- Gold and Silver Nanoparticles Synthesis and Applications
- Scientific Research and Discoveries
- Thermal Radiation and Cooling Technologies
- Tribology and Wear Analysis
- Acoustic Wave Phenomena Research
- Quantum, superfluid, helium dynamics
- Advanced Theoretical and Applied Studies in Material Sciences and Geometry
- Polymer Foaming and Composites
- Polymer crystallization and properties
Institute of Molecular Physics of the Polish Academy of Sciences
2015-2024
Polish Academy of Sciences
2015-2024
Uniwersytet Kaliski im. Prezydenta Stanisława Wojciechowskiego
2016-2024
Northwestern University
2009
Sheridan College
2009
The Abdus Salam International Centre for Theoretical Physics (ICTP)
2003-2004
Metastatic cancer cells differ from their non-metastatic counterparts not only in terms of molecular composition and genetics, but also by the very strategy they employ for locomotion. Here, we analyzed large-scale statistics migrating on linear microtracks to show that metastatic follow a qualitatively different movement than non-invasive counterparts. The trajectories display clusters small steps are interspersed with long "flights". Such movements characterized heavy-tailed, truncated...
The thermal conductivity of solid argon in the classical limit has been calculated by equilibrium molecular dynamic simulations using Green-Kubo formalism and a Lennard-Jones interatomic potential. Contrary to previous theoretical reports, we find that computed conductivities are good agreement with experimental data. values also high-temperature three-phonon scattering contribution conductivity. We finite-size effects negligible phonon lifetimes have two characteristic time scales, so...
A new approach to search for materials with auxetic properties by modifying structures of solids at molecular level has been proposed. The analysis elastic the face-centered cubic Yukawa crystals very narrow nanochannels in [001] crystallographic direction using Monte Carlo simulations isothermal–isobaric ensemble done. An influence size on value Poisson's ratio main directions studied. It shown that insertion system causes a decrease from –0.15(2) –0.29(3). That means an amplification...
Poisson's ratios of 2D crystals hard, cyclic tetramers, further referred to as tetramers , are investigated by Monte Carlo (MC) simulations. The very simple model molecules, which composed four identical hard disks diameter σ with centers forming a square side d studied in the isobaric–isothermal ensemble. It is found that, at same thermodynamical parameters, but depending on anisotropy parameter spontaneously form crystalline phases, representing each five Bravais lattices (BLs) possible...
Tailoring the materials for a given task by modifying their elastic properties is attractive to material scientists. However, recent studies of purely geometrical atomic models with structural modifications showed that designing particular change achieve desired complex. This work concerns impact nanochannel inclusions in fcc hard sphere crystal on its properties, especially auxetic ones. The containing six arrays spheres another diameter, oriented along [110]-direction and symmetric...
Systems of model planar, nonconvex, hard-body "molecules" fivefold and sevenfold symmetry axes are studied by constant pressure Monte Carlo simulations with variable shape the periodic box. The molecules, referred to as pentamers (heptamers), composed five (seven) identical hard disks "atoms" centers forming regular pentagons (heptagons) sides equal disk diameter. elastic compliances defect-free solid phases computed analysis strain fluctuations reference (equilibrium) state is determined...
Preliminary results on the influence of periodically distributed cylindrical nanoinclusions introduced into f.c.c. hard sphere crystal its elastic properties and Poisson's ratio are presented. The oriented along [001]‐direction filled with spheres diameter different from forming matrix crystal. Monte Carlo simulations show that symmetry changes cubic to tetragonal one. In case when inside inclusion smaller than crystal, qualitatively similar observed earlier in Yukawa is, introduction...
Abstract The influence of molecular geometry on the Poisson's ratio has been investigated for a few two‐dimensional (2D) hard body systems (hard discs, dimers, cyclic trimers, and hexamers) forming elastically isotropic solid phases. studied periodic aperiodic solids was determined by Monte Carlo simulations using analysis box fluctuations in constant pressure ensemble ( NpT ) with variable shape. results obtained all showed that grows when density is decreased. It also found decreases...
Monte Carlo simulations in the isobaric–isothermal ensemble with variable shape of periodic box were used to investigate Poisson's ratios hard‐core repulsive Yukawa crystals periodically distributed nanoslits. Each nanoslit, oriented perpendicularly crystallographic direction [010], was filled by a monolayer hard spheres. It is shown that presence nanoslits leads negative ratio, as low –0.57(2), [100][001]‐direction. This not auxetic pure crystal, i.e. shows positive equal 0.43(1).
Abstract Monte Carlo computer simulations with variable shape of the periodic box were performed for a few two‐dimensional, hard‐body models showing elastically isotropic solid phases. Two examples homo‐molecular (i.e. consisting identical molecules) systems anisotropic molecules are discussed which form unusual phases, negative Poisson's ratio and know as auxetic ones, at densities pressures higher than Sharp extremes observed both freezing orientational degrees freedom molecules: minimum...
The thermal conductivity of liquid argon in nanochannels has been calculated over a wide range densities using two independent methods—the Green-Kubo approach equilibrium molecular dynamics simulations and the Müller-Plathe method non-equilibrium simulations. Lennard-Jones potential was used to model interatomic interactions. influence transversal size shape nanochannel on along length channel investigated. varied from 2.25 nm 15 nm. revealed that weakly depends (square vs circular) scales...
Quartz crystal microbalance experiments were performed to study the kinetics of surface adsorption from solutions containing oppositely charged nanoparticles. A theoretical model was developed according which formation dense nanoparticle (NP) monolayers is driven by a cooperative process, in already-adsorbed NPs facilitate solution. The kinetic rate constants change with NP solution concentration and can be used backtrack free energies. These energies agree predictions simple DLVO model.
Abstract Propagation of longitudinal solitary waves in rods made an isotropic material was studied by computer simulations. The analysis the problem based on equation derived Porubov from Murnaghan's free energy model. Amplitudes, velocities and shapes pulses propagating were determined both for auxetic materials, i.e. exhibiting negative Poisson's ratio, common ones – positive or zero ratio.
Elastic properties of the face centered cubic (fcc) phase particles, interacting through hard-core repulsive Yukawa potential are determined by Monte Carlo (MC) simulations in NpT ensemble with variable shape periodic box. The effects Debye screening length () and contact value on elastic system studied. It is found that partially auxetic. Poisson's ratio direction negative decreases increasing length. measured directions at versus density.
Elastic properties of strongly anisotropic hard cyclic tetramers are studied in the isobaric–isothermal ensemble using Monte Carlo simulations. The model molecules consisting four disks diameter σ with centers forming a square side d . Recently, it was shown that 2D crystals (with anisotropy parameter ) can form chiral phase, which is (completely) auxetic, is, its Poisson's ratio negative all directions. Herein, complete pressure dependence tetramer crystalline phase presented. These studies...
Outside thermodynamic equilibrium, outcomes of self-assembly can be dictated not by energy but the dissipation rate. Remarkably, non-equilibrium lead to both low- and high-dissipation structures. The latter, thermodynamically more wasteful structures are exponentially less probable with increasing This dependence is quantified in a Boltzmann-like relation for systems. As service our authors readers, this journal provides supporting information supplied authors. Such materials peer reviewed...
Designing a particular change in system structure to achieve the desired elastic properties of materials for given task is challenging. Recent studies purely geometrical atomic models have shown that structural modifications on molecular level can lead interesting and desirable properties. Still, result such changes usually difficult predict. The present work concerns impact nanolayer inclusion ordering hard sphere crystals their properties, with special attention devoted auxetic Two sets...
The thermal conductivity of solid argon at high-pressure (up to 50 GPa) and high-temperature 2000 K) has been calculated by equilibrium molecular dynamics simulations using the Green-Kubo formalism an exponential-6 interatomic potential. A simple empirical expression is given for its pressure temperature dependence. results are compared with predictions based on kinetic theory. relative change lambda density rho found be consistent a partial differential ln lambda/ slope approximately 6 in...
Elastic constants and the Poisson ratio of fcc hard-sphere crystalline phases, free defects with vacancies, are determined by two Monte Carlo methods: (i) analysis box fluctuations in constant pressure ensemble variable shape (N-P-T) (ii) free-energy differentiation respect to deformation fixed (N-V-T). Very good agreement is observed for extrapolated infinitely large system limit results both methods. The coefficients leading singularities elastic near close packing estimated; they well...
Dynamic self-assembly (DySA) outside of thermodynamic equilibrium underlies many forms adaptive and intelligent behaviors in both natural artificial systems. At the same time, fundamental principles governing DySA systems remain largely undeveloped. In this context, it is desirable to relate forces mediating nonequilibrium thermodynamics system—specifically, rate energy dissipation. paper, numerical simulations are used calculate dissipation rates a prototypical, magneto-hydrodynamic system,...
The Poisson's ratio of the fcc hard-core repulsive Yukawa crystals with size polydispersity was determined by Monte Carlo simulations in isothermal-isobaric ensemble. effect on auxetic properties has been studied. It found that an increase particle causes a decrease directions as well appearance negative formerly non-auxetic directions. A measure auxeticity introduced to estimate quantitatively enhancement polydisperse crystals. proposed can be applied appraise any studied system.
Elastic properties of model crystalline systems, in which the particles interact via hard potential (infinite when any overlap and zero otherwise) hard-core repulsive Yukawa interaction, were determined by Monte Carlo simulations. The influence structural modifications, form periodic nanolayers being perpendicular to crystallographic axis [111], on auxetic crystal was investigated. It has been shown that sphere introduced into crystals allow one control elastic system. also found...