Search NASA⌕ Search

SEARCH · Search NASA

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

The influence of temperature induced phase transition on the energy storage density of anti-ferroelectric ceramics

Anti-ferroelectric (AFE) composite ceramics of (Pb{sub 0.858}Ba{sub 0.1}La{sub 0.02}Y{sub 0.008})(Zr{sub 0.65}Sn{sub 0.3}Ti{sub 0.05})O{sub 3}-(Pb{sub 0.97}La{sub 0.02})(Zr{sub 0.9}Sn{sub 0.05} Ti{sub 0.05})O{sub 3} (PBLYZST-PLZST) were fabricated by the conventional solid-state sintering process (CS), the glass-aided sintering (GAS), and the spark plasma sintering (SPS), respectively. The influence of the temperature induced phase transition on the phase structure, hysteresis loops, and energy storage properties of the composite ceramics were investigated in detail. The measured results of X-ray diffraction demonstrate that the composite ceramics exhibit the perovskite phases and small amounts of non-functional pyrochlore phases. Compared with the CS process, the GAS and SPS processes are proven more helpful to suppress the diffusion behaviors between the PBLYZST and PLZST phases according to the field emission scanning electron microscopy, thereby being able to improve the contribution of PBLYZST phase to the temperature stability of the orthogonal AFE phase. When the ambient temperature rises from 25 °C to 125 °C, CS and GAS samples have undergone a phase transition from orthorhombic AFE phase to tetragonal AFE phase, which results in a sharp decline in the energy storage density. However, the phase transition temperature of SPS samples is higher than 125 °C, and the energy storage density only slightly decreases due to the disorder of material microstructure caused by the high temperature. As a result, the SPS composite ceramics obtain a recoverable high energy storage density of 6.46 J/cm{sup 3} and the excellent temperature stability of the energy storage density of 1.16 × 10{sup −2} J/°C·cm{sup 3}, which is 1.29 × 10{sup −2} J/°C·cm{sup 3} lower than that of CS samples and about 0.43 times as that of GAS samples.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Phase Transition in a Memristive Suspended MoS 2 Monolayer Probed by Opto- and Electro-Mechanics

Semiconducting monolayers of a 2D material are able to concatenate multiple interesting properties into a single component. Here, by combining opto-mechanical and electronic measurements, we demonstrate the presence of a partial 2H–1T' phase transition in a suspended 2D monolayer membrane of MoS 2 . Electronic transport shows unexpected memristive properties in the MoS 2 membrane, in the absence of any external dopants. A strong mechanical softening of the membrane is measured concurrently and may only be related to the 2H–1T' phase transition, which imposes a 3% directional elongation of the topological 1T' phase with respect to the semiconducting 2H. We note that only a few percent 2H–1T' phase switching is sufficient to observe measurable memristive effects. Our experimental results combined with first-principles total energy calculations indicate that sulfur vacancy diffusion plays a key role in the initial nucleation of the phase transition. Our study clearly shows that nanomechanics represents an ultrasensitive technique to probe the crystal phase transition in 2D materials or thin membranes. Lastly, a better control of the microscopic mechanisms responsible for the observed memristive effect in MoS 2 is important for the implementation of future devices.

2D materials↗
DOE OSTI2014

Effect of isovalent substitution on microstructure and phase transition of LaNb{sub 1−x}M{sub x}O{sub 4} (M=Sb, V or Ta; x=0.05–0.3)

LaNb{sub 1−x}M{sub x}O{sub 4} oxides with pentavalent elements of different ionic sizes (M=Sb, Ta and V, x=0.05–0.3) were synthesized by the solid state reaction method. Special interest was devoted to the antimony substituted lanthanum niobate which is a new material in this group. Rietveld analysis of the X-ray diffraction patterns was used to determine the influence of the material composition on unit cell parameters. On the basis of dilatometric measurements phase transition temperatures and thermal expansion coefficients of the studied materials were determined. It was shown that with increasing concentration of Sb the phase transition temperature decreases. Thermal expansion coefficient of the antimony substituted samples above the transition temperature is in the range from 8.1 to 9.1×10{sup −6} 1/K, whereas below the transition temperature the TEC value is between 14 and 17.3×10{sup −6} 1/K. Influence of Ta, V and Sb substitutions on the microstructure and grain size was studied. - Graphical abstract: Substitution of niobium by other pentavalent elements in LaNbO{sub 4} leads to change in phase transition temperature. In case of Sb substituent a shift of phase transition into the lower temperature region is observed. LaNb{sub 0.7}Sb{sub 0.3}O{sub 4} substitution allows to achieve material with tetragonal crystal structure at room temperature and no phase transition up to 1000 °C. - Highlights: • Antimony doped lanthanum niobate was successfully synthesized by solid state synthesis method. • The structural properties have been investigated by XRD and SEM. • The influence of doping on phase transition temperature has been studied.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Numerical simulation of phase transition problems with explicit interface tracking

Phase change is ubiquitous in nature and industrial processes. Started from the Stefan problem, it is a topic with a long history in applied mathematics and sciences and continues to generate outstanding mathematical problems. For instance, the explicit tracking of the Gibbs dividing surface between phases is still a grand challenge. Our work has been motivated by such challenge and here we report on progress made in solving the governing equations of continuum transport in the presence of a moving interface by the front tracking method. The most pressing issue is the accounting of topological changes suffered by the interface between phases wherein break up and/or merge takes place. The underlying physics of topological changes require the incorporation of space-time subscales not at reach at the moment. Therefore we use heuristic geometrical arguments to reconnect phases in space. This heuristic approach provides new insight in various applications and it is extensible to include subscale physics and chemistry in the future. We demonstrate the method on applications such as simulating freezing, melting, dissolution, and precipitation. The later examples also include the coupling of the phase transition solution with the Navier-Stokes equations for the effect of flow convection.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Beyond chemical accuracy: The pseudopotential approximation in diffusion Monte Carlo calculations of the HCP to BCC phase transition in beryllium.

Motivated by the disagreement between recent diffusion Monte Carlo calculations of the phase transition pressure between the ambient and beta-Sn phases of silicon and experiments, we present a study of the HCP to BCC phase transition in beryllium. This lighter element provides an opportunity for directly testing many of the approximations required for calculations on silicon and may suggest a path towards increasing the practical accuracy of diffusion Monte Carlo calculations of solids in general. We demonstrate that the single largest approximation in these calculations is the pseudopotential approximation and after removing this we find excellent agreement with experiment for the ambient HCP phase and results similar to careful calculations using density functional theory for the phase transition pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Gravitational radiation from first-order phase transitions

It is believed that first-order phase transitions at or around the GUT scale will produce high-frequency gravitational radiation. This radiation is a consequence of the collisions and coalescence of multiple bubbles during the transition. We employ high-resolution lattice simulations to numerically evolve a system of bubbles using only scalar fields, track the anisotropic stress during the process and evolve the metric perturbations associated with gravitational radiation. Although the radiation produced during the bubble collisions has previously been estimated, we find that the coalescence phase enhances this radiation even in the absence of a coupled fluid or turbulence. We comment on how these simulations scale and propose that the same enhancement should be found at the Electroweak scale; this modification should make direct detection of a first-order electroweak phase transition easier.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Field-tuned ferroquadrupolar quantum phase transition in the insulator TmVO 4

We report results of low-temperature heat-capacity, magnetocaloric-effect, and neutron-diffraction measurements of TmVO 4 , an insulator that undergoes a continuous ferroquadrupolar phase transition associated with local partially filled 4 f orbitals of the thulium (Tm 3 + ) ions. The ferroquadrupolar transition, a realization of Ising nematicity, can be tuned to a quantum critical point by using a magnetic field oriented along the c axis of the tetragonal crystal lattice, which acts as an effective transverse field for the Ising-nematic order. In small magnetic fields, the thermal phase transition can be well described by using a semiclassical mean-field treatment of the transverse-field Ising model. However, in higher magnetic fields, closer to the field-tuned quantum phase transition, subtle deviations from this semiclassical behavior are observed, which are consistent with expectations of quantum fluctuations. Although the phase transition is driven by the local 4 f degrees of freedom, the crystal lattice still plays a crucial role, both in terms of mediating the interactions between the local quadrupoles and in determining the critical scaling exponents, even though the phase transition itself can be described via mean field. In particular, bilinear coupling of the nematic order parameter to acoustic phonons changes the spatial and temporal fluctuations of the former in a fundamental way, resulting in different critical behavior of the nematic transverse-field Ising model, as compared to the usual case of the magnetic transverse-field Ising model. Our results establish TmVO 4 as a model material and electronic nematicity as a paradigmatic example for quantum criticality in insulators.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Solid-solid phase transition via the liquid in a Pd 43 Cu 27 Ni 10 P 20 bulk metallic glass under conventional conditions

The microscopic mechanism of solid-solid phase transitions is a long-standing fundamental issue in materials science. Here we directly report the experimental evidence of the existence of an intermediate liquid during the solid-solid phase transition in a bulk Pd 43 Cu 27 Ni 10 P 20 alloy by in situ high temperature high energy X-ray diffraction, combined with the differential scanning calorimetry at slow heating rates down to 5 K/min. We elucidate that this intermediate liquid is attributed to the melting of the low-melting-point crystalline phases, rather than induced by the elastic stress energy along the interface proposed in literatures. This could also be a general feature in multicomponent alloys if a low-melting-point crystalline phase is formed together with other crystalline phases during heating. Furthermore, all results obtained here are scientifically sound and provide new insight into the phase transition theory, which will trigger more studies on the microscopic mechanism of solid-solid phase transition via an intermediate liquid.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Anomalies in the Young modulus at structural phase transitions in rare-earth cobaltites RBaCo{sub 4}O{sub 7} (R = Y, Tm-Lu)

The elastic properties of rare-earth cobaltites RBaCo{sub 4}O{sub 7} (R = Y, Tm-Lu) have been experimentally studied in the temperature range of 80-300 K. The strong softening of the Young modulus {Delta}E(T)/E{sub 0} Almost-Equal-To -(0.1-0.2) of cobaltites with Lu and Yb ions has been revealed, which is due to the instability of the crystal structure upon cooling and is accompanied by an inverse jump at the second-order structural phase transition. The softening of the Young modulus and the jump at the phase transition decrease by an order of magnitude and the transition temperature T{sub s} and hysteresis {Delta}T{sub s} increase from a compound with Lu to that with Tm. A large softening of the Young modulus at the structural transition in Lu- and Yb cobaltites indicates that the corresponding elastic constant goes to zero, whereas this constant in Tm cobaltite is not a 'soft' mode of the phase transition. It has been found that the structural phase transition in Lu- and Yb cobaltites is accompanied by a large absorption maximum at the phase transition point and an additional maximum in the low-temperature phase and absorption anomalies in Tm cobaltite is an order of magnitude smaller.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Finite Bubble Statistics Constrain Late Cosmological Phase Transitions

We consider first order cosmological phase transitions (PTs) happening at late times below standard model temperatures T PT ≲ GeV. The inherently stochastic nature of bubble nucleation and the finite number of bubbles associated with a late-time PT lead to superhorizon fluctuations in the PT completion time. We compute how such fluctuations eventually source curvature fluctuations with universal properties, independent of the microphysics of the PT dynamics. Using cosmic microwave background (CMB) and large scale structure measurements, we constrain the energy released in a dark-sector PT. For 0.1 eV ≲ T PT ≲ keV this constraint is stronger than both the current bound from additional neutrino species Δ⁢N eff , and in some cases, even CMB-S4 projections. Future measurements of CMB spectral distortions and pulsar timing arrays will also provide competitive sensitivity for keV ≲ T PT ≲ GeV.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Pressure-dependent phase transitions in hybrid improper ferroelectric Ruddlesden-Popper oxides

The temperature-dependent phase transitions in Ruddlesden-Popper oxides with perovskite bilayers have been under increased scrutiny in recent years due to the so-called hybrid improper ferroelectricity that some chemical compositions exhibit. However, little is currently understood about the hydrostatic pressure dependence of these phase transitions. Herein we present the results of a combined high-pressure powder synchrotron x-ray diffraction experiment and a b i n i t i o study on the bilayered Ruddlesden-Popper phases Ca 3 Mn 2 O 7 and Ca 3 Ti 2 O 7 . In both compounds we observe a first-order phase transition, that in combination with our density functional theory calculations, we can confidently assign as being between polar A 2 1 a m and nonpolar A c a a structures. Interestingly, we show that while the application of pressure ultimately favors a nonpolar phase, as is commonly observed for proper ferroelectrics, regions of response exist where pressure actually acts to increase the polar mode amplitudes. The reason for this can be untangled by considering the varied response of octahedral tilts and rotations to hydrostatic pressure and their trilinear coupling with the polar instability. Published by the American Physical Society 2024

Materials Science↗
DOE OSTI2016

Heterogeneous nucleation and growth dynamics in the light-induced phase transition in vanadium dioxide

Here we report on ultrafast optical investigations of the light-induced insulator-to-metal phase transition in vanadium dioxide with controlled disorder generated by substrate mismatch. These results reveal common dynamics of this optically-induced phase transition that are independent of this disorder. Lastly, above the fluence threshold for completing the transition to the rutile crystalline phase, we find a common time scale, independent of sample morphology, of 40.5 ± 2 ps that is consistent with nucleation and growth dynamics of the R phase from the parent M1 ground state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Solid-state phase transitions of two quaternary metallic fuel alloys (U-2.5Mo-2.5Ti-5.0Zr and U-1.5Mo-1.5Ti-7.0Zr in wt. %)

This study focuses on the solid-state phase transitions of two quaternary fuel alloys for fast reactors: U-1.5Mo-1.5Ti-7.0Zr (U-MT7Z) and U-2.5Mo-2.5Ti-5.0Zr (U-MT5Z). Here, the phase transitions were determined by differential scanning calorimetry (DSC), X-ray powder diffraction (XRD), and scanning electron microscopy/energy dispersive X-ray spectroscopy (SEM/EDS). To identify the high temperature phases, the alloys were annealed at 873K, 948K, 1023K, and 1123K (all under 72 hours). Combining those characterizations, the phase transitions are determined. In U-MT7Z, there is one phase transition observed, and it is ascribed to α + U 2 Ti → γ transition. In U-MT5Z, two transitions are found. The first transition is α → γ, while the second is U 2 Ti → γ. The γ phase onset temperature of U-MT5Z is lower than that of U-MT7Z due to the higher Mo content.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Dynamics of antiferroelectric phase transition in PbZrO 3

The dynamics of the phase transition in antiferroelectric PbZrO 3 which is a subject of a decades long debate, is examined using first-principles-based simulations. This is achieved through development of a computational approach that allows calculations of generalized complex susceptibilities at an arbitrary point of the Brillouin zone. Application of this approach to the case of PbZrO 3 predicts the temperature evolution of many of its lattice modes, some of which remain elusive or even ``invisible'' in experiments. Here, the computational data suggest that two lattice modes are primarily responsible for the antiferroelectric phase transition in this material: the one associated with oxygen octahedra tilts dynamics and the other due to lead ions antipolar vibrations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Interlayer-glide-driven isosymmetric phase transition in compressed In{sub 2}Se{sub 3}

We report an anomalous phase transition in compressed In{sub 2}Se{sub 3}. The high-pressure studies indicate that In{sub 2}Se{sub 3} transforms to a new isosymmetric R-3m structure at 0.8 GPa whilst the volume collapses by ∼7%. This phase transition involves a pressure-induced interlayer shear glide with respect to one another. Consequently, the outer Se atoms of one sheet locate into the interstitial sites of three Se atoms in the neighboring sheets that are weakly connected by van der Waals interaction. Interestingly, this interlayer shear glide changes the stacking sequence significantly but leaves crystal symmetry unaffected. This study provides an insight to the mechanisms of the intriguing isosymmetric phase transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Assessment of Physics Models for Phase Transition Kinetics

The time dependence of phase diagrams and how to model rate dependent transitions remains one of the key unanswered questions in physics. When a material is loaded dynamically through equilibrium phase boundaries, it is the kinetics that determines the real time expression of a phase transition. Here we report the atomic and nanosecond-scale quantification of kinetics of shock-driven phase transition in multiple materials. We uniquely make use of a both a simple shock as well as shock-and-hold loading pathways compress different crystalline solids and induce structural phase transitions below melt. Coupling shock loading with time-resolved synchrotron x-ray diffraction (DXRD), we probe the structural transformations of these solids in the short-lived high pressure and temperature states generated. The novelty and power of using DXRD for the assessment of kinetics of phase transitions lies in the ability to discover and identify new phases and to examine kinetics without prior knowledge of a material's phase diagram. Our results provide a quantified expression and a physics model of kinetics of formation of high-pressure phases under shock loading: transition incubation time, evolution, completion time and crystallization rate.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Phase transition from the symmetry breaking of charged Klein–Gordon fields

We analyze the phase transition associated with the U(1) symmetry breaking of the complex Klein–Gordon (KG) equation with a Mexican–hat scalar field potential up to one loop in perturbations immersed in a thermal bath. We show that the KG equation reduces to a Gross–Pitaevskii like–equation (GP), which also contains the entire information of the phase transition. Indeed, the thermal bath contributions, together with the corresponding U(1) local symmetry, allow us to interpret the resulting GP equation as a charged and finite temperature version of the system. Finally, we obtain the hydrodynamics and consequently, the corresponding thermodynamics, and show that breakdown of the U(1) local symmetry of the KG field into the new version of the GP equation corresponds, under certain circumstances, to a phase transition of the gas into a condensate, superfluid, and/or superconductor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Inferring the Isotropic-Nematic Phase Transition with Generative Machine Learning

Generative machine learning models are capable of learning the phase behavior in condensed matter systems such as the Ising model. We utilize a score-based modeling procedure called thermodynamic maps to describe the isotropic-nematic phase transition in a melt of Gay-Berne ellipsoids. When trained on samples from a single temperature on either side of the phase transition, this generative machine learning approach infers effectively the nematic order parameter at intermediate temperatures. Furthermore, these results demonstrate score-based models’ ability to learn the physics of a nontrivial liquid crystal phase transition.

Critical exponents↗