Search results for "Phase Transition"
showing 10 items of 1281 documents
Crystal nuclei in melts: A Monte Carlo simulation of a model for attractive colloids
2015
As a model for a suspension of hard-sphere like colloidal particles where small nonadsorbing dissolved polymers create a depletion attraction, we introduce an effective colloid-colloid potential closely related to the Asakura-Oosawa model but that does not have any discontinuities. In simulations, this model straightforwardly allows the calculation of the pressure from the Virial formula, and the phase transition in the bulk from the liquid to crystalline solid can be accurately located from a study where a stable coexistence of a crystalline slab with a surrounding liquid phase occurs. For this model, crystalline nuclei surrounded by fluid are studied both by identifying the crystal-fluid …
Hydrogen sensor based on a palladium-coated fibre-taper with improved time-response
2006
Abstract We report an experimental study of the response of a hydrogen sensor, based on a palladium-coated tapered optical fibre, at different temperatures in the range −30 to 80 °C. We have studied the transmission, the time-response and the initial response velocity, being able to correlate these measurements with the pressure–composition isotherms of the Pd–H system and its phase transitions. Heating of the palladium layer optically with an auxiliary laser diode permits to improve the sensor's time-response at low temperatures.
Role of image charges in ionic liquid confined between metallic interfaces.
2020
The peculiar properties of ionic liquids in confinement have not only become essential for energy storage, catalysis and tribology, but still pose fundamental questions. Recently, an anomalous liquid-solid phase transition has been observed in atomic force microscopy experiments for 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF4]), the transition being more pronounced for metallic surfaces. Image charges have been suggested as the key element driving the anomalous freezing. Using atomistic molecular dynamics simulations, we investigate the impact of image charges on structure, dynamics and thermodynamics of [BMIM][BF4] confined between gold electrodes. Our results not only unveil…
Quantum Critical Scaling under Periodic Driving
2016
Universality is key to the theory of phase transition stating that the equilibrium properties of observables near a phase transition can be classified according to few critical exponents. These exponents rule an universal scaling behaviour that witnesses the irrelevance of the model's microscopic details at criticality. Here we discuss the persistence of such a scaling in a one-dimensional quantum Ising model under sinusoidal modulation in time of its transverse magnetic field. We show that scaling of various quantities (concurrence, entanglement entropy, magnetic and fidelity susceptibility) endures up to a stroboscopic time $\tau_{bd}$, proportional to the size of the system. This behavio…
Magnetic and electronic phase transitions probed by nanomechanical resonators
2020
The reduced dimensionality of two-dimensional (2D) materials results in characteristic types of magnetically and electronically ordered phases. However, only few methods are available to study this order, in particular in ultrathin insulating antiferromagnets that couple weakly to magnetic and electronic probes. Here, we demonstrate that phase transitions in thin membranes of 2D antiferromagnetic FePS3, MnPS3 and NiPS3 can be probed mechanically via the temperature-dependent resonance frequency and quality factor. The observed relation between mechanical motion and antiferromagnetic order is shown to be mediated by the specific heat and reveals a strong dependence of the Néel temperature of…
Energy fluctuations and the singularity of specific heat in a 3D Ising model
2004
We study the energy fluctuations in 3D Ising model near the phase transition point. Specific heat is a relevant quantity which is directly related to the mean squared amplitude of the energy fluctuations in the system. We have made extensive Monte Carlo simulations in 3D Ising model to clarify the character of the singularity of the specific heat C v based on the finite-size scaling of its maximal values C v max depending on the linear size of the lattice L . An original iterative method has been used which automatically finds the pseudocritical temperature corresponding to the maximum of C v . The simulations made up to L ≤ 128 with application of the Wolff's cluster algorithm allowed us t…
Comparative studies of ferroelectric and magnetic phase transitions in Pb(Fe1/2Nb1/2)O3-PbMO3 (M-Ti, Zr) multiferroic solid solutions
2015
Some peculiar features of magnetic x,T-phase diagram of (1-x)PbFe1/2Nb1/2O3- xPbTiO3 system at x ≈ 0.1 have been ascribed previously to the change of the lattice symmetry from rhombohedral to tetragonal or to the decrease of the lattice parameter with x. We carried out structural, dielectric, magnetization, and Mossbauer studies of (1-x)PbFe1/2Nb1/2O3-xPbZrO3 system, where the symmetry remains rhombohedral, while the lattice parameter increases with x. However, the magnetic x,T-phase diagram of (1-x)PbFe1/2Nb1/2O3-xPbZrO3 appeared to be very similar to that of (1-x) PbFe1/2Nb1/2O3-xPbTiO3. Anomalies of composition dependence of magnetic phase transition temperatures at x ≈ 0.1 are supposed …
Spin- and phase transition in the spin crossover complex [Fe(ptz)6](BF4)2 studied by nuclear inelastic scattering of synchrotron radiation and by DFT…
2006
Abstract Nuclear inelastic scattering (NIS) spectra of [Fe(ptz) 6 ](BF 4 ) 2 (ptz = 1- n -propyl-tetrazole) have been measured for five phases differing in spin state and crystallographic structure. Different spectral patterns have been found for the low-spin and high-spin phases and are described in terms of normal coordinate analysis of the complex molecule. For both low-spin and high-spin phases the conversion from ordered to disordered phase results in splitting of the observed NIS bands. Packing becomes visible in the NIS spectra via coupling of the Fe–N stretching vibrations with those of the terminal n -propyl groups. The DFT-based normal coordinate analysis also reveals the characte…
High-Spin → Low-Spin Relaxation in [Fe(bpp)2](CF3SO3)2 H2O after LIESST and Thermal Spin-State Trapping—Dynamics of Spin Transition Versus Dynamics o…
1996
The iron(II) complex [Fe(bpp)2]-(CF3SO3)2 H2O (bpp = 2,6-bis(pyrazolyl-3-yl)pyridine) shows a thermal spin transition associated with a hysteresis of approximately 140 K width. The transition temperatures T1/2 (where the fraction of HS species γHS = 0.5) are 147 K and ≈285 K in the cooling and heating directions, respectively. The compound shows the LIESST and reverse-LIESST effects at low temperatures. The relaxation of the metastable HS states generated by LIESST was observed quantitatively at temperatures between 77.5 and 85 K by Mossbauer spectroscopy. Metastable HS states can also be generated by rapid cooling of the sample. The relaxation of the metastable HS states formed by thermal …
Concurrent molecular dynamics simulation of spinodal phase transition on transputer arrays
1990
Abstract We describe a concurrent implementation on cost-effective transputer arrays of a molecular dynamics program to efficiently simulate physical systems consisting of thousands of mobile particles with an interaction range much shorter than the system dimensions. This program, which uses a geometric decomposition strategy and includes a distributed dynamic load balancer, has been extensively tested by simulating the two-dimensional spinodal phase separation of a large Lennard-Jones system.