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Results for “Phase transition”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Real time study of grain enlargement in zirconium under room-temperature compression across the α to ω phase transition

We report a synchrotron Laue diffraction study on the microstructure evolution in zirconium (Zr) as it undergoes a pressure-driven structural phase transformation, using a recently developed real time scanning x-ray microscopy technique. Time resolved characterizations of microstructure under high pressure show that Zr exhibits a grain enlargement across the α-Zr to ω-Zr structural phase transition at room-temperature, with nucleation and growth of ω-Zr crystals observed from initially a nano-powdered α-Zr matrix. The observed grain enlargement is unusual since the enlargement processes typically require substantially high temperature to overcome the activation barriers for forming and moving of grain boundaries. Possible mechanisms for the grain enlargement are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Fluctuations and phase transitions of uniaxial and biaxial liquid crystals using a theoretically informed Monte Carlo and a Landau free energy density

In this work, we explore fluctuations during phase transitions of uniaxial and biaxial liquid crystals using a phenomenological free energy functional. We rely on a continuum-level description of the liquid crystal ordering with a tensorial parameter and a temperature dependent Landau polynomial expansion of the tensor's invariants. The free energy functional, over a three-dimensional periodic domain, is integrated with a Gaussian quadrature and minimized with a theoretically informed Monte Carlo method. We reconstruct analytical phase diagrams, following Landau and Doi 's notations, to verify that the free energy relaxation reaches the global minimum. Importantly, our relaxation method is able to follow the thermodynamic behavior provided by other non-phenomenological approaches; we predict the first order character of the isotropic-nematic transition, and we identify the uniaxial-biaxial transition as second order. Finally, we use a finite-size scaling method, using the nematic susceptibility, to calculate the transition temperatures for 4-Cyano-4'-pentylbiphenyl (5CB) and N-(4-methoxybenzylidene)-4-butylaniline (MBBA). Our results show good agreement with experimental values, thereby validating our minimization method. Our approach is an alternative towards the relaxation of temperature dependent continuum-level free energy functionals, in any geometry, and can incorporate complicated elastic and surface energy densities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Quenching through the QCD chiral phase transition

We present a detailed numerical and analytical study of the out-of-equilibrium dynamics of Model G, the dynamical universality class relevant to the chiral phase transition. We perform numerical 3D stochastic (Langevin) simulations of the 𝑂⁡(4) critical point for large lattices in the chiral limit. We quench the system from the high-temperature unbroken phase to the broken phase and study the nonequilibrium dynamics of pion fields. Strikingly, the nonequilibrium evolution of the two-point functions exhibits a regime of growth, a parametrically large enhancement, and a subsequent slow relaxation to equilibrium. We analyze our numerical results using dynamic critical scaling and mean-field theory. The growth of the two-point functions is determined by the nonlinear dynamics of an ideal non-Abelian superfluid, which is a limit of Model G that reflects the broken chiral symmetry. We also relate the nonequilibrium two-point functions to a long-lived parametric enhancement of soft pion yields relative to thermal equilibrium following a quench.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Low temperature transformation from antiferromagnetic to ferromagnetic order in impurity system Ge:As near the insulator-metal phase transition

The low-temperature transformation from antiparallel to parallel spin orientation in a nonmagnetic compensated system Ge:As semiconductor near the metal-insulator phase transition has been experimentally observed. This effect is manifested in the temperature dependences of the impurity magnetic susceptibility obtained by integration of the spin resonance absorption line. These dependences show that the spin density falls in the medium temperature range (10-100 K) and grows at low temperatures. The effect is confirmed by the specific temperature features of the g-factor and inverse magnetic susceptibility. As the relative content of a compensating impurity (gallium) is made lower than 0.7, the transition temperature begins to decrease and, at a degree of compensation < 0.3, falls outside the temperature range under study (i.e., below 2 K)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Photo-induced phase-transitions in complex solids

This review highlights the recent experimental and theoretical advances in ultrafast science in the field of ultrafast sciences, particularly photoinduced phase transitions in complex systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Phase transition kinetics revealed by in situ x-ray diffraction in laser-heated dynamic diamond anvil cells

We report successful coupling of dynamic loading in a diamond anvil cell and stable laser heating, which enables compression rates up to 500 GPa/s along high-temperature isotherms. Dynamic loading in a diamond-anvil cell allows exploration of a wider range of pathways in the pressure-temperature space compared to conventional dynamic compression techniques. By x-ray diffraction, we are able to characterize and monitor the structural transitions with the appropriate time resolution i.e., millisecond timescales. Using this method, we investigate the γ − ε phase transition of iron under dynamic compression, reaching compression rates of hundreds of GPa/s and temperatures of 2000 K. Our results demonstrate a distinct response of the γ − ε and α − ε transitions to the high compression rates achieved, possibly due to the different transition mechanisms. These findings open up new avenues to study tailored dynamic compression pathways in the pressure-temperature space and highlight the potential of this platform to capture kinetic effects (over ms time scales) in a diamond anvil cell. Published by the American Physical Society 2024

Ricks, Matthew (ORCID:000000015315612X)↗
DOE OSTI2016

Detectable gravitational waves from very strong phase transitions in the general NMSSM

We study the general NMSSM with an emphasis on the parameter regions with a very strong first-order electroweak phase transition (EWPT). In the presence of heavy fields coupled to the Higgs sector, the analysis can be problematic due to the existence of sizable radiative corrections. In this paper we propose a subtraction scheme that helps to circumvent this problem. For simplicity we focus on a parameter region that is by construction hidden from the current collider searches. The analysis proves that (at least) in the identified parameter region the EWPT can be very strong and striking gravitational wave signals can be produced. The corresponding gravitational stochastic background can potentially be detected at the planned space-based gravitational wave observatory eLISA, depending on the specific experiment design that will be approved.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Nature of Continuous Phase Transitions in Interacting Topological Insulators

Here, we revisit the effects of the Hubbard repulsion on quantum spin Hall effects (QSHE) in two-dimensional quantum lattice models. We present both unbiased exact diagonalization and density-matrix renormalization group simulations with numerical evidence for a continuous quantum phase transition (CQPT) separating QSHE from the topologically trivial antiferromagnetic phase. Our numerical results suggest that the nature of CQPT exhibits distinct finite-size scaling behaviors, which may be consistent with either Ising or XY universality classes for different time-reversal symmetric QSHE systems.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Phase transitions in fermionic systems with many-body interaction

A linearized version of the Hartree-Fock method is used as a probe to investigate phase transitions in fermionic systems with many-body interactions. An application to a new exactly solvable model which includes two- and three-body forces is shown.

Bozzolo, G.↗
DOE OSTI2013

Anomalous optical switching and thermal hysteresis during semiconductor-metal phase transition of VO{sub 2} films on Si substrate

We present a detailed infrared study of the semiconductor-to-metal transition (SMT) in a vanadium dioxide (VO{sub 2}) film deposited on silicon wafer. The VO{sub 2} phase transition is studied in the mid-infrared region by analyzing the transmittance and the reflectance measurements, and the calculated emissivity. The reflectance has been measured in two configurations: from the side of the VO{sub 2} film and from that of Si wafer. The results show a strong asymmetry between the emissivity in the two configurations, and the fact that the emissivity dynamic range from the silicon side is twice as large than that from the VO{sub 2} side. The temperature behaviour of the emissivity during the SMT put into evidence the phenomenon of the anomalous absorption in VO{sub 2}, which has been explained by applying the Maxwell Garnett effective medium approximation theory.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Quantum phase transition dynamics in the two-dimensional transverse-field Ising model

The quantum Kibble-Zurek mechanism (QKZM) predicts universal dynamical behavior near the quantum phase transitions (QPTs). It is now well understood for the one-dimensional quantum matter. Higher-dimensional systems, however, remain a challenge, complicated by the fundamentally different character of the associated QPTs and their underlying conformal field theories. In this work, we take the first steps toward theoretical exploration of the QKZM in two dimensions for interacting quantum matter. We study the dynamical crossing of the QPT in the paradigmatic Ising model by a joint effort of modern state-of-the-art numerical methods, including artificial neural networks and tensor networks. As a central result, we quantify universal QKZM behavior close to the QPT. We also note that, upon traversing further into the ferromagnetic regime, deviations from the QKZM prediction appear. We explain the observed behavior by proposing an extended QKZM taking into account spectral information as well as phase ordering. Our work provides a testing platform for higher-dimensional quantum simulators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Structure and temperature-dependent phase transitions of lead-free Bi 1/2 Na 1/2 TiO 3 -Bi 1/2 K 1/2 TiO 3 -K 0.5 Na 0.5 NbO 3 piezoceramics

Structure and phase transitions of (1-y)((1-x)Bi 1/2 Na 1/2 TiO 3 -xBi 1/2 K 1/2 TiO 3 )-yK 0.5 Na 0.5 NbO 3 (x; y) piezoceramics (0.1 ≤ x ≤ 0.4; 0 ≤ y ≤ 0.05) were investigated by transmission electron microscopy, neutron diffraction, temperature-dependent x-ray diffraction, and Raman spectroscopy. The local crystallographic structure at room temperature (RT) does not change by adding K 0.5 Na 0.5 NbO 3 to Bi 1/2 Na 1/2 TiO 3 -xBi 1/2 K 1/2 TiO 3 for x = 0.2 and 0.4. The average crystal structure and microstructure on the other hand develop from mainly long-range polar order with ferroelectric domains to short-range order with polar nanoregions displaying a more pronounced relaxor character. The (0.1; 0) and (0.1; 0.02) compositions exhibit monoclinic Cc space group symmetry, which transform into Cc + P4bm at 185 and 130 °C, respectively. This high temperature phase is stable at RT for the morphotropic phase boundary compositions of (0.1; 0.05) and all compositions with x = 0.2. For the compositions of (0.1; 0) and (0.1; 0.02), local structural changes on heating are evidenced by Raman; for all other compositions, changes in the long-range average crystal structure were observed.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Metal–Insulator Phase Transition in Thin Films of a Nickel-Doped Vanadium Dioxide

The electrical conductivity of thin polycrystalline VNi{sub x}O{sub 2} films has been studied in a wide range of temperatures, which covers the regions of both metallic and insulator phase. It is shown that the metal–insulator phase transition temperature decreases as the nickel concentration increases, and the temperature range of coexistence of the phases increases monotonically. The temperature dependence of the conductivity of the insulating VNi{sub x}O{sub 2} phase is explained using the hopping conduction model that takes into account the influence of thermal atomic vibrations on the resonance integral. Parameter ε has been calculated as a function of the doping level of VO{sub 2}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Superconductivity versus structural phase transition in the closely related Bi 2 Rh 3.5 S 2 and Bi 2 Rh 3 S 2

Single crystals of Bi 2 Rh 3 S 2 and Bi 2 Rh 3.5 S 2 were synthesized by solution growth, and the crystal structures and thermodynamic and transport properties of both compounds were studied. In the case of Bi 2 Rh 3 S 2 , a structural first-order transition at around 165 K is identified by single-crystal diffraction experiments, with clear signatures visible in resistivity, magnetization, and specific heat data. No superconducting transition for Bi 2 Rh 3 S 2 was observed down to 0.5 K. In contrast, no structural phase transition at high temperature was observed for Bi 2 Rh 3.5 S 2 ; however, bulk superconductivity with a critical temperature, T c ≈ 1.7 K, was observed. The Sommerfeld coefficient γ and the Debye temperature (Θ D ) were found to be 9.41 mJ mol –1 K –2 and 209 K, respectively, for Bi 2 Rh 3 S 2 , and 22 mJ mol –1 K –2 and 196 K, respectively, for Bi 2 Rh 3.5 S 2 . As a result, the study of the specific heat in the superconducting state of Bi 2 Rh 3.5 S 2 suggests that Bi 2 Rh 3.5 S 2 is a weakly coupled, BCS superconductor.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Structural phase transition and elastic properties of hafnium dihydride: A first principles study

The structural and elastic properties of Hafnium dihydride (HfH{sub 2}) are investigated by first principles calculation based on density functional theory using Vienna ab-initio simulation package (VASP). The calculated lattice parameters are in good agreement with the available results. A pressure induced structural phase transition from CaF{sub 2} to FeS{sub 2} phase is observed in HfH{sub 2} at 10.75 GPa. The calculated elastic constants indicate that this hydride is mechanically stable at ambient condition.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Imaging nanomagnetism and magnetic phase transitions in atomically thin CrSBr

Since their first observation in 2017, atomically thin van der Waals (vdW) magnets have attracted significant fundamental, and application-driven attention. However, their low ordering temperatures, T c , sensitivity to atmospheric conditions and difficulties in preparing clean large-area samples still present major limitations to further progress, especially amongst van der Waals magnetic semiconductors. The remarkably stable, high-T c vdW magnet CrSBr has the potential to overcome these key shortcomings, but its nanoscale properties and rich magnetic phase diagram remain poorly understood. Here we use single spin magnetometry to quantitatively characterise saturation magnetization, magnetic anisotropy constants, and magnetic phase transitions in few-layer CrSBr by direct magnetic imaging. We show pristine magnetic phases, devoid of defects on micron length-scales, and demonstrate remarkable air-stability down the monolayer limit. We furthermore address the spin-flip transition in bilayer CrSBr by imaging the phase-coexistence of regions of antiferromagnetically (AFM) ordered and fully aligned spins. Our work will enable the engineering of exotic electronic and magnetic phases in CrSBr and the realization of novel nanomagnetic devices based on this highly promising vdW magnet.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Shock induced phase transition of water: Molecular dynamics investigation

Molecular dynamics simulations were carried out using numerous force potentials to investigate the shock induced phenomenon of pure bulk liquid water. Partial phase transition was observed at single shock velocity of 4.0 km/s without requirement of any external nucleators. Change in thermodynamic variables along with radial distribution function plots and spectral analysis revealed for the first time in the literature, within the context of molecular dynamic simulations, the thermodynamic pathway leading to formation of ice VII from liquid water on shock loading. The study also revealed information for the first time in the literature about the statistical time-frame after passage of shock in which ice VII formation can be observed and variations in degree of crystallinity of the sample over the entire simulation time of 100 ns.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗