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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

The effects of Venusian mantle convection with multiple phase transitions

Recently there was a flurry of activities in studying the effects of phase transitions in the Earth's mantle. From petrological and geophysical considerations, phase-transitions would also play an important role in venusian dynamics. The basic differences between the two planets are the surface boundary conditions, both thermally and mechanically. In this vein we have studied time-dependent mantle convection with multiple phase transitions and depth-dependent thermal expansivity (alpha is approximately rho(exp -6)), based on high-pressure and temperature measurements. Both the olivine-spinel and spinel-perovskite transitions were simulated by introducing an effective thermal expansivity, as described. Used together with the extended Boussinesq Approximation this method serves as a powerful tool to examine the effects of phase transitions on convection at relatively low computational costs.

Steinbach, V.↗
DOE OSTI2017

Highly responsive ground state of PbTaSe 2 : Structural phase transition and evolution of superconductivity under pressure

Transport and magnetic studies of PbTaSe 2 under pressure suggest the existence of two superconducting phases with the low temperature phase boundary at ~ 0.25 GPa that is defined by a very sharp, first order, phase transition. The first order phase transition line can be followed via pressure dependent resistivity measurements, and is found to be near 0.12 GPa near room temperature. Transmission electron microscopy and x-ray diffraction at elevated temperatures confirm that this first order phase transition is structural and occurs at ambient pressure near ~ 425 K. The new, high temperature/high pressure phase has a similar crystal structure and slightly lower unit cell volume relative to the ambient pressure, room temperature structure. Based on first-principles calculations this structure is suggested to be obtained by shifting the Pb atoms from the 1 a to 1 e Wyckoff position without changing the positions of Ta and Se atoms. PbTaSe 2 has an exceptionally pressure sensitive, structural phase transition with Δ T s / Δ P ≈ -1400 K/GPa near room temperature, and ≈ -1700 K/GPa near 4 K. This first order transition causes a ~ 1 K (~ 25 % ) steplike decrease in T c as pressure is increased through 0.25 GPa.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Phase Transitions in Tetramethylammonium Hexachlorometalate Compounds (TMA) 2 MCl 6 (M = U, Np, Pt, Sn, Hf, Zr)

A study of the phase transitions occurring in tetramethylammonium hexachlorometalate compounds with M = U IV , Np IV , Zr IV , Sn IV , Hf IV and Pt IV were performed using single-crystal X-ray diffraction across the temperature range 120 - 400K. When the crystals were cooled, movement of the octahedral [MCl 6 ] 2- anions induces a phase transition from Fm3m to Fd3c with a doubling of the unit cell. For the actinide compounds, no correlation between the f-electron configuration and the transition temperature was observed, instead, a correlation between the transition temperatures and both the [MCl 6 ] 2- anion and the TMA cation size is highlighted. Two phase transitions were observed and characterized. The first phase transition occurs with the ordering of the TMA cation and the second from a rotation of the [MCl 6 ] 2- octahedra. A third phase transition was observed at lower temperatures and was ascribed to a tetragonal distortion of the [MCl 6 ] 2- anions. Synthesis and study of their deuterated compounds did not show a significant isotope effect. As a result, Raman spectra performed on the protonated and deuterated compounds indicate only weak hydrogen bonding interactions between the TMA cations and the [MCl 6 ] 2- octahedra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Domain wall formation in late-time phase transitions

We examine domain wall formulation in late time phase transitions. We find that in the invisible axion domain wall phenomenon, thermal effects alone are insufficient to drive different parts of the disconnected vacuum manifold. This suggests that domain walls do not form unless either there is some supplemental (but perhaps not unreasonable) dynamics to localize the scalar field responsible for the phase transition to the low temperature maximum (to an extraordinary precision) before the onset of the phase transition, or there is some non-thermal mechanism to produce large fluctuations in the scalar field. The fact that domain wall production is not a robust prediction of late time transitions may suggest future directions in model building.

Kolb, Edward W.↗
DOE OSTI2019

Photo-Induced Vacancy Ordering and Phase Transition in MoTe 2

We demonstrate here that nonequilibrium dynamics plays a central role in the photo-induced 2H-to-1T’ phase transition of MoTe 2 . The phase transition is initiated by a local ordering of Te vacancies, followed by a 1T’ structural change in the original 2H lattice. The local 1T’ region serves as a seed to gather more vacancies into ordering and subsequently to induce a further growth of the 1T’ phase. Remarkably, this process is controlled by photo-generated excited carriers as they enhance vacancy diffusion, increase the speed of vacancy ordering, and are hence vital to the 1T’ phase transition. This mechanism can be contrasted to the current model requiring a collective sliding of a whole Te atomic layer, which is thermodynamically highly unlikely. By uncovering the key roles of photo excitations, our findings may have prime implications to fine control phase transitions in transition-metal dichalcogenides.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Topological Phase Transitions in Multicomponent Superconductors

We study the phase transition between a trivial and a time-reversal-invariant topological superconductor in a single-band system. By analyzing the interplay of symmetry, topology, and energetics, we show that for a generic normal state band structure, the phase transition occurs via extended intermediate phases in which even- and odd-parity pairing components coexist. For inversion-symmetric systems, the coexistence phase spontaneously breaks time-reversal symmetry. For noncentrosymmetric superconductors, the low-temperature intermediate phase is time-reversal breaking, while the high-temperature phase preserves time-reversal symmetry and has topologically protected line nodes. Furthermore, with approximate rotational invariance, the system has an emergent U (1) × U (1) symmetry, and novel topological defects, such as half vortex lines binding Majorana fermions, can exist. We analytically solve for the dispersion of the Majorana fermion and show that it exhibits small and large velocities at low and high energies. Finally, relevance of our theory to superconducting pyrochlore oxide Cd 2 Re 2 O 7 and half-Heusler materials is discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Pressure-induced isostructural phase transition and charge transfer in superconducting FeSe

Here, we present extensive investigations of the crystallographic phase diagram and electronic properties of the Fe-based superconductor FeSe under extreme conditions (high pressure (HP) and low temperature (LT)) by synchrotron X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS). An isostructural phase transition (Tetragonal (T) →high-pressure Tetragonal (T')) is discovered in FeSe at ~2.8 GPa based on the axial ratio c/a with finer pressure step as observed in Fe-As-based superconductor such as EuFe 2 As 2 . We also find a pressure-induced T' → MnP-type phase transition at 7.6 GPa in FeSe, which is consistent with the documented pressure-induced high-spin → low-spin transition (~6–7 GPa). These results reveal the pressure-induced structural phase transition sequence in FeSe at room temperature to be T → T' → T'+MnP-type at pressures of 0–10.6 GPa, enriching the crystallographic phase diagram. The HPLT XRD data also indicate that a sluggish structural phase transition ( Cmma → Pnma ) begins at 7.5 GPa, and these two phases coexist up to 26.5 GPa. The HP X-ray absorption near-edge spectroscopy (XANES) measurement shows that E o of Se experiences a pressure-induced shift to high energy, evidencing strongly charge transfer between Fe and Se under high pressure. Our results shed lights on the correlation between crystallographic/electronic structure and superconductivity in this material.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Relativistic Hybrid Stars with Sequential First-order Phase Transitions in Light of Multimessenger Constraints

In this work, we consider the properties of compact stars in which quark matter has low- and high-density phases that are separated by a first-order phase transition. Thus, unlike the commonly considered case of a single phase transition from hadronic to quark matter, our models of hybrid stars contain sequential phase transitions from hadronic matter to low- and then to high-density quark matter phases. We extend our previous study of the parameter space of hybrid stars with a single phase transition to those with sequential phase transitions, taking into account the constraints on the mass and radius of neutron stars from the NICER experiment, the experimental inferences of the neutron skin thickness of the lead nucleus by the PREX-II experiment, and constraints on the tidal deformability from the gravitational-wave event GW170817. We determine the range of the masses for which both twin and triplet configurations, i.e., identical-mass stars with two and three different values of radii, arise.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

QCD axion dark matter from a late time phase transition

We investigate the possibility that the Peccei-Quinn phase transition occurs at a temperature far below the symmetry breaking scale. Low phase transition temperatures are typical in supersymmetric theories, where symmetry breaking fields have small masses. We find that QCD axions are abundantly produced just after the phase transition. The observed dark matter abundance is reproduced even if the decay constant is much lower than 10 11 GeV. The produced axions tend to be warm. For some range of the decay constant, the effect of the predicted warmness on structure formation can be confirmed by future observations of 21 cm lines. A portion of parameter space requires a mixing between the Peccei-Quinn symmetry breaking field and the Standard Model Higgs, and predicts an observable rate of rare Kaon decays.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Role of Heterointerface in Lithium-Induced Phase Transition in T d -WTe 2 Nanoflakes

A new polytype of WTe 2 with a bandgap has been recently discovered through the intercalation of lithium into the van der Waals gaps of T d -WTe 2 . Here, we report the effects of reduced thicknesses and heterointerfaces on the intercalation-induced phase transition in WTe 2 . Using in situ Raman spectroscopy during the electrochemical lithiation of WTe 2 flakes as a function of flake thickness, we observe that additional electrochemical energy is required for the phase transition of WTe 2 from the T d phase to the new lithiated T d ' phase, going from 0.8 V of the applied electrochemical voltage for a thick flake to 0.5 V and 0.3 V for 7- and 5-layered samples, respectively. We ascribe this suppression of the phase transition to the interfacial interaction between the nanoflake and SiO 2 /Si substrate, which plays an increasing role as the sample thickness is reduced. The suppressed kinetics of the phase transition can be mitigated by placing the WTe 2 flake on a hexagonal boron nitride (hBN) flake, which facilitates the release of the in-plane strain induced by the phase transition. Importantly, our study underscores the significance of interfacial effects in modulating phase transitions in two-dimensional (2D) materials, suggesting heterogeneous transition pathways, as well as interfacial engineering to control these phase transitions.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Anomalous phase transition behavior in hydrothermal grown layered tellurene

Recent studies have demonstrated that tellurene is a van der Waals (vdW) two-dimensional material with potential optoelectronic and thermoelectric applications as a result of its pseudo-one-dimensional structure and properties. Here, we report on the pressure induced anomalous phase transition of tellurium nanoribbons. The observation of clean phase transitions was made possible with high quality single crystalline Te nanoribbons that are synthesized by hydrothermal reaction growth. The results show that phase transition has a large pressure hysteresis and multiple competing phases: during compression, the phase transition is sudden and takes place from trigonal to orthorhombic phase at 6.5 GPa. Orthorhombic phase remains stable up to higher pressures (15 GPa). In contrast, phase transition is not sudden during decompression, but orthorhombic and trigonal phases co-exist between 6.9 to 3.4 GPa. Grüneisen parameter calculations further confirm the presence of co-existing phases and suggest hysteretic phase change behavior. Finally, orthorhombic to trigonal phase transition occurs at 3.4 GPa which means overall pressure hysteresis is around 3.1 GPa.

42 ENGINEERING↗
DOE OSTI2022

Supercurrent-induced topological phase transitions

We show that finite current in superconductors can induce topological phase transitions, as a result of the deformation of the quasiparticle spectrum by a finite center-of-mass (COM) momentum of the Cooper pairs. To show the wide applicability of this mechanism, we examine the topological properties of three prototypical systems: the Kitaev chain, s-wave superconductors, and d-wave superconductors. Here we introduce a finite COM momentum as an external field corresponding to the supercurrent and show that all the models exhibit current-induced topological phase transitions. We also discuss the possibility of observing the phase transitions in experiments and the relation to the other finite COM momentum pairing states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Machine learning–enabled identification of material phase transitions based on experimental data: Exploring collective dynamics in ferroelectric relaxors

Exploration of phase transitions and construction of associated phase diagrams are of fundamental importance for condensed matter physics and materials science alike, and remain the focus of extensive research for both theoretical and experimental studies. For the latter, comprehensive studies involving scattering, thermodynamics, and modeling are typically required. We present a new approach to data mining multiple realizations of collective dynamics, measured through piezoelectric relaxation studies, to identify the onset of a structural phase transition in nanometer-scale volumes, that is, the probed volume of an atomic force microscope tip. Machine learning is used to analyze the multidimensional data sets describing relaxation to voltage and thermal stimuli, producing the temperature-bias phase diagram for a relaxor crystal without the need to measure (or know) the order parameter. The suitability of the approach to determine the phase diagram is shown with simulations based on a two-dimensional Ising model. Finally, these results indicate that machine learning approaches can be used to determine phase transitions in ferroelectrics, providing a general, statistically significant, and robust approach toward determining the presence of critical regimes and phase boundaries.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Zero Magnetic Field Plateau Phase Transition in Higher Chern Number Quantum Anomalous Hall Insulators

The plateau-to-plateau transition in quantum Hall effect under high magnetic fields is a celebrated quantum phase transition between two topological states. It can be achieved by either sweeping the magnetic field or tuning the carrier density. The recent realization of the quantum anomalous Hall (QAH) insulators with tunable Chern numbers introduces the channel degree of freedom to the dissipation-free chiral edge transport and makes the study of the quantum phase transition between two topological states under zero magnetic field possible. Here, we synthesized the magnetic topological insulator (TI)/TI pentalayer heterostructures with different Cr doping concentrations in the middle magnetic TI layers using molecular beam epitaxy. By performing transport measurements, we found a potential plateau phase transition between C=1 and C=2 QAH states under zero magnetic field. In tuning the transition, the Hall resistance monotonically decreases from h/e2 to h/2e 2 , concurrently, the longitudinal resistance exhibits a maximum at the critical point. Our results show that the ratio between the Hall resistance and the longitudinal resistance is greater than 1 at the critical point, which indicates that the original chiral edge channel from the C=1 QAH state coexists with the dissipative bulk conduction channels. Subsequently, these bulk conduction channels appear to self-organize and form the second chiral edge channel in completing the plateau phase transition. Our study will motivate further investigations of this novel Chern number change-induced quantum phase transition and advance the development of the QAH chiral edge current-based electronic and spintronic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Nucleation is more than critical: A case study of the electroweak phase transition in the NMSSM

Electroweak baryogenesis is an attractive mechanism to generate the baryon asymmetry of the Universe via a strong first order electroweak phase transition. We compare the phase transition patterns suggested by the vacuum structure at the critical temperatures, at which local minima are degenerate, with those obtained from computing the probability for nucleation via tunneling through the barrier separating local minima. Heuristically, nucleation becomes difficult if the barrier between the local minima is too high, or if the distance (in field space) between the minima is too large. As an example of a model exhibiting such behavior, we study the Next-to-Minimal Supersymmetric Standard Model, whose scalar sector contains two SU(2) doublets and one gauge singlet. We find that the calculation of the nucleation probabilities prefers different regions of parameter space for a strong first order electroweak phase transition than the calculation based solely on the critical temperatures. Our results demonstrate that analyzing only the vacuum structure via the critical temperatures can provide a misleading picture of the phase transition patterns, and, in turn, of the parameter space suitable for electroweak baryogenesis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

First-order reversal curve of the magnetostructural phase transition in FeTe

We apply the first-order reversal curve (FORC) method, adapted from studies of ferromagnetic materials, to the magnetostructural phase transition of Fe 1+y Te. FORC measurements reveal two features in the hysteretic phase transition, even in samples where traditional temperature measurements display only a single transition. For Fe 1.13 Te, the influence of magnetic field suggests that the main feature is primarily structural while a smaller, slightly higher-temperature transition is magnetic in origin. By contrast, Fe 1.03 Te has a single transition which shows a uniform response to magnetic field, indicating a stronger coupling of the magnetic and structural phase transitions. We also introduce uniaxial stress, which spreads the distribution width without changing the underlying energy barrier of the transformation. Finally, the work shows how FORC can help disentangle the roles of the magnetic and structural phase transitions in FeTe.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Parameter study of a Kinetic Phase Transition model

We investigate the ability of the two model parameters in the Kinetic Phase Transition (KPT) model of Carl Greeff to describe phase transitions of various types when combined with the tin Equation of states for the phases, SESAME 2162. While the two parameters are correlated, one combination can be associated with the nucleation process giving rise to the hysteresis seen in phase transition paths in pressure-temperature space and another can be associated with the overall timescale of the transition. We acknowledge the desire to have a model where the parameters are more independent of each other for easier model parameter determination.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Gravitational waves from first-order phase transitions in Majoron models of neutrino mass

We show how the generation of right-handed neutrino masses in Majoron models may be associated with a first-order phase transition and accompanied by the production of a stochastic background of gravitational waves (GWs). We explore different energy scales with only renormalizable operators in the effective potential. If the phase transition occurs above the electroweak scale, the signal can be tested by future interferometers. We consider two possible energy scales for phase transitions below the electroweak scale. If the phase transition occurs at a GeV, the signal can be tested at LISA and provide a complementary cosmological probe to right-handed neutrino searches at the FASER detector. If the phase transition occurs below 100 keV, we find that the peak of the GW spectrum is two or more orders of magnitude below the putative NANOGrav GW signal at low frequencies, but well within reach of the SKA and THEIA experiments. We show how searches of very low frequency GWs are motivated by solutions to the Hubble tension in which ordinary neutrinos interact with the dark sector. We also present general calculations of the phase transition temperature and Euclidean action that apply beyond Majoron models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗