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Results for “First order phase transitions”

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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

X-ray nanodiffraction imaging reveals distinct nanoscopic dynamics of an ultrafast phase transition

Significance Phase transitions, the changes between states of matter with distinct electronic, magnetic, or structural properties, are at the center of condensed matter physics and underlie valuable technologies. First-order phase transitions are intrinsically heterogeneous. When driven by ultrashort excitation, nanoscale phase regions evolve rapidly, which has posed a significant experimental challenge to characterize. The newly developed laser-pumped X-ray nanodiffraction imaging technique reported here has simultaneous 100-ps temporal and 25-nm spatial resolutions. This approach reveals pathways of the nanoscale structural rearrangement upon ultrafast optical excitation, different from those transitions under slowly varying parameters. The spatiotemporally resolved structural characterization provides crucial nanoscopic insights into ultrafast phase transitions and opens opportunities for controlling nanoscale phases on ultrafast time scales.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Gravitational waves from supercooled phase transitions in conformal Majoron models of neutrino mass

We study supercooled first-order phase transitions above the QCD scale in a wide class of conformal Majoron-like U(1)′ models that explain the totality of active neutrino oscillation data and produce a detectable stochastic gravitational wave background (SGWB) at LIGO, LISA and ET. We place constraints on the U(1)′ breaking scale and gauge coupling using current LIGO-Virgo-Kagra data. We find that strong supercooling can be ruled out in large regions of parameter space if a SGWB is not detected by these experiments. A null signal at LIGO and ET will disfavor a type-I seesaw scale above 10 14 GeV, while a positive signal is a signature of heavy right-handed neutrinos. On the other hand, LISA will be sensitive to seesaw scales as low as a TeV, and could detect a SGWB even if the right-handed neutrinos are decoupled.

early universe particle physics↗
DOE OSTI2021

Electroweak-like baryogenesis with new chiral matter

We propose a framework where a phase transition associated with a gauge symmetry breaking that occurs (not far) above the electroweak scale sets a stage for baryogenesis similar to the electroweak baryogenesis in the Standard Model. A concrete realization utilizes the breaking of SU(2) R × U(1) X → U(1) Y . New chiral fermions charged under the extended gauge symmetry have nonzero lepton numbers, which makes the B - L symmetry anomalous. The new lepton sector contains a large flavor-dependent CP violation, similar to the Cabibbo-Kobayashi-Maskawa phase, without inducing sizable electric dipole moments of the Standard Model particles. A bubble wall dynamics associated with the first-order phase transition and SU(2) R sphaleron processes generate a lepton asymmetry, which is transferred into a baryon asymmetry via the ordinary electroweak sphaleron process. Unlike the Standard Model electroweak baryogenesis, the new phase transition can be of the strong first order and the new CP violation is not significantly suppressed by Yukawa couplings, so that the observed asymmetry can be produced. The model can be probed by collider searches for new particles and the observation of gravitational waves. One of the new leptons becomes a dark matter candidate. The model can be also embedded into a left-right symmetric theory to solve the strong CP problem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

A Catastrophic Charge Density Wave in BaFe 2 Al 9

Charge density waves (CDWs) are modulations of the electron density and the atomic lattice that develop in some crystalline materials at low temperatures. We report an unusual example of a CDW in BaFe 2 Al 9 below 100 K. In contrast to the canonical CDW phase transition, temperature-dependent physical properties of single crystals reveal a first-order phase transition. This is accompanied by a discontinuous change in the size of the crystal lattice. In fact, this large strain has catastrophic consequences for the crystals causing them to physically shatter. Single-crystal X-ray diffraction reveals superlattice peaks in the low-temperature phase signaling the development of a CDW lattice modulation. No similar low-temperature transitions are observed in BaFe 2 Al 9 . Electronic structure calculations provide one hint to the different behavior of these two compounds; the d-orbital states in the Fe compound are not completely filled. Iron compounds are renowned for their magnetism, and partly filled d-states play a key role. Finally, it is therefore surprising that BaFe 2 Al 9 develops a structural modulation at low temperature instead of magnetic order.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ultracompact hybrid stars consistent with multimessenger astrophysics

In this work, we consider the consequences of phase transition in dense QCD on the properties of compact stars and implications for the observational program in gravitational wave and x-ray astrophysics. The key underlying assumption of our modeling is a strong first-order phase transition past the point where the hadronic branch of compact stars reaches the two-solar mass limit. Furthermore, our analysis predicts ultracompact stars with very small radii—in the range of 6–9 km—living on compact star sequences that are entirely consistent with the current multimessenger data. We show that sequences featuring two-solar mass hadronic stars consistent with radio-pulsar observations are also consistent with the inferences of large radii for massive neutron stars by NICER x-ray observations of neutron stars and the small radii predicted by gravitational waves analysis of the binary neutron star inspiral event GW170817 for our models that feature a strong first-order QCD phase transition.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Signature of hadron-quark crossover in binary-neutron-star mergers

Here, we study observational signatures of the hadron-quark crossover in binary-neutron-star mergers by numerical-relativity simulations with various mass configurations. We employ two equations of state (EoSs) for matter consistent with inference from the observational data. In the crossover scenario the EoS is softened in a density realized in binary-neutron-star mergers and is smoothly continued to quark matter. In the phase transition scenario without crossover, the EoS remains stiff and a first-order phase transition takes place in a density out of reach of mergers. A GW170817-like system forms a remnant massive neutron star in both scenarios, and it collapses into a black hole only in the crossover scenario due to the softening while gravitational-wave emission is strong. This difference is clearly reflected in the sudden shutdown of gravitational waves. For a given EoS, the lifetime of the merger remnant is determined primarily by the total mass of the system. Identifying these features in a variety of future events with the next generation of ground-based gravitational-wave detectors will enable us to clarify details of hadron-quark transition. The mass of the accretion disk surrounding the remnant black hole is affected not only by the lifetime of the remnant but also by the mass ratio of the system. Electromagnetic emission associated with the disk outflow will also be useful for detailed investigation of the hadron-quark transition.

QCD phase transitions↗
DOE OSTI2020

Microphase Separation in Polyelectrolyte Blends: Weak Segregation Theory and Relation to Nuclear "Pasta".

We develop the weak segregation theory of micro phase separation in stoichiometric blends of oppositely and weakly charged polyelectrolytes, which would be immiscible in the absence of charged units. Short-range repulsions between polycation and polyanion monomers induce the formation of oppositely charged domains, the size of which is controlled by their excess Coulomb energy. The diagram of blend morphologies is constructed in the framework of Leibler's mean-field approach and to account for fluctuations within the Brazovskii-Fredrickson-Helfand approximation. Phase behavior of the polyelectrolyte blends is fully analogous to that of neutral diblock copolymers. The mean-field analysis predicts that the order-disorder transition (ODT) is second order for the symmetric blend. In asymmetric mixtures, an increasing incompatibility between polyelectrolytes triggers the usual cascade of first-order phase transitions, dis -> bcc -> hex -> lam. Fluctuations alter the phase diagram topology and allow the direct transitions from the disordered state (dis) to hex and lam microphases; for the symmetric blend, ODT becomes weakly first order. We also discuss that both microphase separation in polyelectrolyte blends and the formation of nuclear "pasta" phases within neutron stars are governed by similar physical principles, despite the 6 orders of magnitude difference in the periods of these structures.

Rumyantsev, Artem M.↗
DOE OSTI2022

A unique gravitational wave signal from phase transition during inflation

We study the properties of the gravitational wave (GW) signals produced by first-order phase transitions during the inflation era. We show that the power spectrum of the GW oscillates with its wave number. This signal can be observed directly by future terrestrial and spatial gravitational wave detectors and through the B-mode spectrum in CMB. This oscillatory feature of GW is generic for any approximately instantaneous sources occurring during inflation and is distinct from the GW from phase transitions after the inflation. The details of the GW spectrum contain information about the scale of the phase transition and the later evolution of the universe.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Cosmological implications of a B – L charged hidden scalar: leptogenesis and gravitational waves*

In this study, we investigated the cosmological implications of a complex singlet scalar $ {\cal{S}}$ with non-trivial $ B-L$ charges in the conformal $ U(1)_{B-L}$ theory. It was found that, in a sizable region of parameter space, $ {\cal{S}}$ may disturb the resonant leptogenesis mechanism, which is used to generate baryon asymmetry, and affect the symmetry breaking dynamics in the strong first order phase transition. The stochastic gravitational waves (GWs) produced at the phase transition can be probed in future GW experiments. The GW searches prefer a relatively light $ {\cal{S}}$ at the TeV-scale; however, this is difficult to detect directly at future high-energy colliders.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Emergence of a competing stripe phase near the Mott transition in Ti-doped bilayer calcium ruthenates

We report the nanoscale imaging of Ti-doped bilayer calcium ruthenates during the Mott metal-insulator transition by microwave impedance microscopy. Different from a typical first-order phase transition where coexistence of the two terminal phases takes place, a new metallic stripe phase oriented along the in-plane crystalline axes emerges inside both the G-type antiferromagnetic insulating state and the paramagnetic metallic state. The effect of this electronic state can be observed in macroscopic measurements, allowing us to construct a phase diagram that takes into account the energetically competing phases. Our work provides a model approach to correlate the macroscopic properties and mesoscopic phase separation in complex oxide materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Direct observations of transient weakening during phase transformations in quartz and olivine

Phase transformations are widely invoked as a source of rheological weakening during subduction, continental collision, mantle convection and various other geodynamic phenomena. However, despite more than half a century of research, the likelihood and magnitude of such weakening in nature remain poorly constrained. Here we use experiments performed on a synchrotron beamline to reveal transient weakening of up to three orders of magnitude during the polymorphic quartz to coesite (SiO 2 ) and olivine to ringwoodite (Fe 2 SiO 4 ) phase transitions. Weakening becomes increasingly prominent as the transformation outpaces deformation. We suggest that this behaviour is broadly applicable among silicate minerals undergoing first-order phase transitions and examine the likelihood of weakening due to the olivine-spinel, (Mg,Fe) 2 SiO 4 , transformation during subduction. Modelling suggests that cold, wet slabs are most susceptible to transformational weakening, consistent with geophysical observations of slab stagnation in the mantle transition zone beneath the western Pacific. In conclusion, our study highlights the importance of incorporating transformational weakening into geodynamic simulations and provides a quantitative basis for doing so.

Cross, Andrew J. [Woods Hole Oceanographic Institu↗
DOE OSTI2025

Computational investigation of water glasses using machine-learning potentials

The molecular origins of water’s anomalous properties have long been a subject of scientific inquiry. The liquid–liquid phase transition hypothesis, which posits the existence of distinct low-density and high-density liquid states separated by a first-order phase transition terminating at a critical point, has gained increasing experimental and computational support and offers a thermodynamically consistent framework for many of water’s anomalies. However, experimental challenges in avoiding crystallization near the postulated liquid–liquid critical point have focused attention to water’s canonical glassy states: low-density and high-density amorphous ice. Here, we use two Deep Potential machine-learning models, trained on the Strongly Constrained and Appropriately Normed density functional and the highly accurate Many-Body Polarizable potential, to conduct an investigation of water’s glassy phenomenology based on quantum mechanical calculations. Despite not being explicitly trained on amorphous ices, both models accurately capture the structure and transformation of the water glasses, including their interconversion along different thermodynamic paths. Isobaric quenching of liquid water at various pressures generates a continuum of intermediate amorphous ices and density fluctuations increase near the liquid–liquid critical pressure. The glass transition temperatures of the amorphous ices produced at different pressures exhibit two distinct branches, corresponding to low-density and high-density amorphous ice behaviors, consistent with experiment and the liquid–liquid transition hypothesis. Extrapolating transformation pressures from isothermal compressions to experimental compression rates brings our simulations into excellent agreement with data. Our findings demonstrate that machine-learning potentials trained on equilibrium phases can effectively model nonequilibrium glassy behavior and pave the way for studying long-timescale, out-of-equilibrium processes with quantum mechanical accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Supercooled phase transitions in conformal dark sectors explain NANOGrav data

According to recent lore, it is difficult to explain the evidence for a stochastic gravitational wave background obtained by pulsar timing arrays with supercooled first-order phase transitions (FOPTs). We demonstrate that supercooled FOPTs in dark U(1) models with a conformal dark sector easily explain the nHz signal at NANOGrav.

Conformal models↗
DOE OSTI2025

Structural Distortions and Uniaxial Negative Thermal Expansion in the Polar Dion–Jacobson Oxide RbNdTa 2 O 7

We provide deeper insight into the crystal structures, sequential structural phase transitions (I2cm → Cmce → I4/mcm → P4/mmm), thermal expansion, and electronic properties of the n = 2 Dion–Jacobson polar oxide RbNdTa 2 O 7 , through X-ray powder diffraction, neutron powder diffraction, Raman studies, and density functional theory calculations. We observed a uniaxial negative thermal expansion (NTE) across the first-order transition, I2cm → Cmce, where the unit cell contracts along the c-axis, which is driven by a contraction of the NdTa 2 O 6 layer. Here, this NTE occurs within the temperature range of the first-order phase transition and contrasts with the corkscrew mechanism typically observed in Ruddlesden–Popper phases. In RbNdTa 2 O 7 , the I2cm (hybrid improper ferroelectric) → Cmce (antipolar) transition involves crucial changes in the bond lengths of Nd and Ta polyhedra, coupled with polar to antipolar displacement of the Nd ions, leading to a net contraction in the NdTa 2 O 6 layer along the c-axis, while preserving the overall octahedral tilting magnitude. This transition highlights the intricate interplay between the Nd and Ta coordination and the associated TaO 6 distortions. Temperature-dependent Raman spectra analysis further confirms the first-order structural transition and associated NTE, providing evidence for increased bond stiffness across this transition. Additionally, using neutron powder diffraction, we have determined that the transition I4/mcm → P4/mmm occurs at approximately 1150 K. Finally, we have calculated from DFT + U, the partial density of states, the energy bandgaps, and effective masses of the charge carriers of the polar ground structure.

Chemical structure↗
DOE OSTI2023

Cyclic versus Linear Alkylammonium Cations: Preventing Phase Transitions at Operational Temperatures in 2D Perovskites

Two-dimensional lead halide perovskites offer numerous attractive features for optoelectronics owing to their soft, deformable lattices and high degree of chemical tunability. While alteration of the metal and halide ions gives rise to significant modification of the bandgap energy, the organic spacer cations offer in-roads to tuning phase behavior and more subtle functionalities in ways that remain to be understood. Here, we study six variations of 2D perovskites changing only the organic spacer cations and demonstrate that these components intrinsically impact material response in important ways such as altering crystallographic structure, temperature-induced phase transitions, and photoluminescence emission. Two-dimensional perovskites containing commonly utilized aliphatic linear spacers, such as butylammonium, undergo phase transitions near room temperature. These transitions and temperature changes induce spacer-dependent variations in the emission spectra. Conversely, 2D perovskites comprising cyclic aliphatic spacers, such as cyclobutylammonium, are found to lack first-order phase transitions. These cyclic molecules are more sterically hindered within the crystal lattice, leading to temperature-induced contraction or expansion along certain crystallographic planes but no other significant thermal effects; additionally, they undergo changes in their emission spectra that cannot be explained by simple thermal expansion. Finally, given the similarities in the dielectric and chemical makeup of this set of six alkylammonium molecules, these results are unexpected and suggest a large structural and thermal phase space via spacer manipulation that could lead to improved 2D perovskite functionalization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Flow and interferometry results from Au + Au collisions at $\sqrt{s_{NN}}$ = 4.5 GeV

In this study, the beam energy scan (BES) program at the Relativistic Heavy Ion Collider (RHIC) was extended to energies below $\sqrt{s_{NN}}$ = 7.7 GeV in 2015 by successful implementation of the fixed-target mode of operation in the STAR (Solenoidal Tracker At RHIC) experiment. In this mode, ions circulate in one ring of the collider and interact with a stationary target at the entrance of the STAR Time Projection Chamber. The first results for Au + Au collisions at $\sqrt{s_{NN}}$ = 4.5 GeV are presented, demonstrating good performance of all the relevant detector subsystems in fixed-target mode. Results presented here include directed and elliptic flow of identified hadrons, and radii from pion femtoscopy. The latter, together with recent HADES results, reveal a long-sought peak structure that may be caused by the system evolving through a first-order phase transition from quark-gluon plasma to the hadronic phase. Directed and elliptic flow for pions are presented for the first time at this beam energy. Pion and proton elliptic flow show behavior which hints at constituent quark scaling, and demonstrate that a definitive conclusion will be achievable using the full statistics of the on-going second phase of BES (BES-II). In particular, BES-II to date has recorded fixed-target data sets with two orders of magnitude more events at each of nine energies between $\sqrt{s_{NN}}$ = 3.0 and 7.7 GeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Quantum Phase Engineering of Two-Dimensional Post-Transition Metals by Substrates: Toward a Room-Temperature Quantum Anomalous Hall Insulator

In this work, we propose a new strategy to engineer topological and magnetic properties of two-dimensional (2D) hexagonal lattices consisting of post-transition metals. Our first-principles calculations demonstrate that substrates serve as templates to form 2D lattices with high thermodynamic stability, where their topological properties as well as magnetic properties sensitively change as a function of lattice constants, i.e., the system undergoes a first-order phase transition from nonmagnetic to ferromagnetic state above a critical lattice constant. Consequently, substrates can be used to explore versatile magnetic, electronic, and quantum topological properties. We establish phase diagrams of versatile quantum phases in terms of exchange coupling and spin–orbit coupling effectively tuned by the lattice constants. We further reveal the first room-temperature quantum anomalous Hall (QAH) effect, i.e., Sn on 2√3 × 2√3 graphane is a QAH insulator with a large spin–orbit coupling gap of ~0.2 eV and a Curie temperature of ~380 K by using the 2D anisotropic Heisenberg model.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Spin excitations in the frustrated triangular lattice antiferromagnet NaYbO 2

In this work, we present a neutron scattering-based study of magnetic excitations and magnetic order in NaYbO 2 under the application of an external magnetic field. The crystal electric field-split J = 7=2 multiplet structure is determined, revealing a mixed |m z $\rangle$ ground state doublet and is consistent with a recent report Ding et al. Our measurements further suggest signatures of exchange effects in the crystal field spectrum, manifested by a small splitting in energy of the transition into the first excited doublet. The field-dependence of the low-energy magnetic excitations across the transition from the quantum disordered ground state into the fluctuation driven ordered regime is analyzed. Signs of a first-order phase transition into a noncollinear ordered state are revealed at the upper-field phase boundary of the ordered regime, and higher order magnon scattering, suggestive of strong magnon-magnon interactions, is resolved within the previously reported up-up-down phase. Our results reveal a complex phase diagram of field-induced order and spin excitations within NaYbO 2 and demonstrate the dominant role of quantum fluctuations cross a broad range of fields within its interlayer frustrated triangular lattice.

36 MATERIALS SCIENCE↗