642 research outputs found
Coarse Molecular-Dynamics Determination of the Onset of Structural Transitions: Melting of Crystalline Solids
Using a coarse molecular-dynamics (CMD) approach with an appropriate choice
of coarse variable (order parameter), we map the underlying effective
free-energy landscape for the melting of a crystalline solid. Implementation of
this approach provides a means for constructing effective free-energy
landscapes of structural transitions in condensed matter. The predictions of
the approach for the thermodynamic melting point of a model silicon system are
in excellent agreement with those of ''traditional'' techniques for
melting-point calculations, as well as with literature values
Molecular-dynamics simulations of stacking-fault-induced dislocation annihilation in pre-strained ultrathin single-crystalline copper films
We report results of large-scale molecular-dynamics (MD) simulations of
dynamic deformation under biaxial tensile strain of pre-strained
single-crystalline nanometer-scale-thick face-centered cubic (fcc) copper
films. Our results show that stacking faults, which are abundantly present in
fcc metals, may play a significant role in the dissociation, cross-slip, and
eventual annihilation of dislocations in small-volume structures of fcc metals.
The underlying mechanisms are mediated by interactions within and between
extended dislocations that lead to annihilation of Shockley partial
dislocations or formation of perfect dislocations. Our findings demonstrate
dislocation starvation in small-volume structures with ultra-thin film
geometry, governed by a mechanism other than dislocation escape to free
surfaces, and underline the significant role of geometry in determining the
mechanical response of metallic small-volume structures.Comment: 28 pages, 3 figure
Coarse molecular-dynamics analysis of stress-induced structural transitions in crystals
We present a coarse molecular-dynamics (CMD) approach for the study of
stress-induced structural transformations in crystals at finite temperatures.
The method relies on proper choice of a coarse variable (order parameter,
observable), which parameterizes the changes in effective free energy during
the transformation. Results are reported for bcc-to-hcp lattice transitions
under pressure. We explore coarse-variable space to reconstruct an effective
free-energy landscape quantifying the relative stability of different
metastable basins and locate the onset, at a critical pressure, of the
bcc-to-hcp transformation.Comment: 3 page
Search for axions in streaming dark matter
A new search strategy for the detection of the elusive dark matter (DM) axion
is proposed. The idea is based on streaming DM axions, whose flux might get
temporally enormously enhanced due to gravitational lensing. This can happen if
the Sun or some planet (including the Moon) is found along the direction of a
DM stream propagating towards the Earth location. The experimental requirements
to the axion haloscope are a wide-band performance combined with a fast axion
rest mass scanning mode, which are feasible. Once both conditions have been
implemented in a haloscope, the axion search can continue parasitically almost
as before. Interestingly, some new DM axion detectors are operating wide-band
by default. In order not to miss the actually unpredictable timing of a
potential short duration signal, a network of co-ordinated axion antennae is
required, preferentially distributed world-wide. The reasoning presented here
for the axions applies to some degree also to any other DM candidates like the
WIMPs.Comment: 5 page
Effect of osmotic stress on the expression of TRPV4 and BKCa channels and possible interaction with ERK1/2 and p38 in cultured equine chondrocytes
The metabolic activity of articular chondrocytes is influenced by osmotic alterations that occur in articular cartilage secondary to mechanical load. The mechanisms that sense and transduce mechanical signals from cell swelling and initiate volume regulation are poorly understood. The purpose of this study was to investigate how the expression of two putative osmolyte channels [transient receptor potential vanilloid 4 (TRPV4) and large-conductance Ca2+-activated K+ (BKCa)] in chondrocytes is modulated in different osmotic conditions and to examine a potential role for MAPKs in this process. Isolated equine articular chondrocytes were subjected to anisosmotic conditions, and TRPV4 and BKCa channel expression and ERK1/2 and p38 MAPK protein phosphorylation were investigated using Western blotting. Results indicate that the TRPV4 channel contributes to the early stages of hypo-osmotic stress, while the BKCa channel is involved in responding to elevated intracellular Ca2+ and mediating regulatory volume decrease. ERK1/2 is phosphorylated by hypo-osmotic stress (P < 0.001), and p38 MAPK is phosphorylated by hyperosmotic stress (P < 0.001). In addition, this study demonstrates the importance of endogenous ERK1/2 phosphorylation in TRPV4 channel expression, where blocking ERK1/2 by a specific inhibitor (PD98059) prevented increased levels of the TRPV4 channel in cells exposed to hypo-osmotic stress and decreased TRPV4 channel expression to below control levels in iso-osmotic conditions (P < 0.001)
Approximate Analytical Model for the Squeeze-Film Lubrication of the Human Ankle Joint with Synovial Fluid Filtrated by Articular Cartilage
The aim of this article is to propose an analytical approximate squeeze-film lubrication model of the human ankle joint for a quick assessment of the synovial pressure field and the load carrying due to the squeeze motion. The model starts from the theory of boosted lubrication for the human articular joints lubrication (Walker et al., Rheum Dis 27:512â520, 1968; Maroudas, Lubrication and wear in joints. Sector, London, 1969) and takes into account the fluid transport across the articular cartilage using Darcyâs equation to depict the synovial fluid motion through a porous cartilage matrix. The human ankle joint is assumed to be cylindrical enabling motion in the sagittal plane only. The proposed model is based on a modified Reynolds equation; its integration allows to obtain a quick assessment on the synovial pressure field showing a good agreement with those obtained numerically (Hlavacek, J Biomech 33:1415â1422, 2000). The analytical integration allows the closed form description of the synovial fluid film force and the calculation of the unsteady gap thickness
An Arthroscopic Device to Assess Articular Cartilage Defects and Treatment with a Hydrogel
The hydraulic resistance R across osteochondral tissue, especially articular cartilage, decreases with degeneration and erosion. Clinically useful measures to quantify and diagnose the extent of cartilage degeneration and efficacy of repair strategies, especially with regard to pressure maintenance, are still developing. The hypothesis of this study was that hydraulic resistance provides a quantitative measure of osteochondral tissue that could be used to evaluate the state of cartilage damage and repair. The aims were to (1) develop a device to measure R in an arthroscopic setting, (2) determine whether the device could detect differences in R for cartilage, an osteochondral defect, and cartilage treated using a hydrogel ex vivo, and (3) determine how quickly such differences could be discerned. The apparent hydraulic resistance of defect samples was ~35% less than intact cartilage controls, while the resistance of hydrogel-filled groups was not statistically different than controls, suggesting some restoration of fluid pressurization in the defect region by the hydrogel. Differences in hydraulic resistance between control and defect groups were apparent after 4Â s. The results indicate that the measurement of R is feasible for rapid and quantitative functional assessment of the extent of osteochondral defects and repair. The arthroscopic compatibility of the device demonstrates the potential for this measurement to be made in a clinical setting
Surface diffusion coefficients by thermodynamic integration: Cu on Cu(100)
The rate of diffusion of a Cu adatom on the Cu(100) surface is calculated
using thermodynamic integration within the transition state theory. The results
are found to be in excellent agreement with the essentially exact values from
molecular-dynamics simulations. The activation energy and related entropy are
shown to be effectively independent of temperature, thus establishing the
validity of the Arrhenius law over a wide range of temperatures. Our study
demonstrates the equivalence of diffusion rates calculated using thermodynamic
integration within the transition state theory and direct molecular-dynamics
simulations.Comment: 4 pages (revtex), two figures (postscript
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