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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Phase Transitions in Organic and Organic/Inorganic Aerosol Particles

The phase state of aerosol particles can impact numerous atmospheric processes, including new particle growth, heterogeneous chemistry, cloud condensation nucleus formation, and ice nucleation. In this article, the phase transitions of inorganic, organic, and organic/inorganic aerosol particles are discussed, with particular focus on liquid-liquid phase separation (LLPS). The physical chemistry that determines whether LLPS occurs, at what relative humidity it occurs, and the resultant particle morphology is explained using both theoretical and experimental methods. The known impacts of LLPS on aerosol processes in the atmosphere are discussed. Finally, potential evidence for LLPS from field and chamber studies is presented. By understanding the physical chemistry of the phase transitions of aerosol particles, we will acquire a better understanding of aerosol processes, which in turn impact human health and climate.

Chemistry↗
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 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↗
DOE OSTI2024

Polymorphism and phase transitions in layered uranium(VI) hydroxides: Ab initio lattice dynamics simulations of UO 2 (OH) 2

The phase transitions and thermodynamics of stoichiometric α-, β-, and γ-UO 2 (OH) 2 polymorphs are investigated using density functional perturbation theory. The pressure-induced β(Pbca) → α(Cmca) phase transition is reproduced by calculations, with a volume reduction of ΔV/V = -14.7% similar to experiment. Consistent with observation, a temperature-driven γ(P2 1 /c) → β(Pbca) phase transition is predicted near 533 K. At 298.15K, the computed standard molar heat capacity of α-UO 2 (OH) 2 is C p 0 = 112.1 J mol -1 K -1 , only 1.6% smaller than the value of C p 0 = 113.96 ± 0.12 J mol -1 K -1 measured by calorimetry. C p 0 = 112.4 and 104.8 J mol -1 K -1 are predicted for the β- and γ-UO 2 (OH) 2 polymorphs, respectively. The calculated molar enthalpy and Gibbs energy functions of the α-, β-, and γ-UO 2 (OH) 2 polymorphs are also reported.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Measurement-induced phase transition in teleportation and wormholes

We demonstrate that some quantum teleportation protocols exhibit measurement induced phase transitions in Sachdev-Ye-Kitaev model. Namely, Kitaev-Yoshida and Gao-Jafferis-Wall protocols have a phase transition if we apply them at a large projection rate or at a large coupling rate respectively. It is well-known that at small rates they allow teleportation to happen only within a small time-window. We show that at large rates, the system goes into a new steady state, where the teleportation can be performed at any moment. In dual Jackiw-Teitelboim gravity these phase transitions correspond to the formation of an eternal traversable wormhole. In the Kitaev-Yoshida case this novel type of wormhole is supported by continuous projections.

Physics↗
DOE OSTI2024

Large magnetoresistance and first-order phase transition in antiferromagnetic single-crystalline EuAg 4 Sb 2

Here, we present the results of a thorough investigation of the physical properties of EuAg 4 Sb 2 single crystals using magnetization, heat capacity, and electrical resistivity measurements. High-quality single crystals, which crystallize in a trigonal structure with space group 𝑅⁢$\bar{3}$𝑚, were grown using a conventional flux method. Temperature-dependent magnetization measurements along different crystallographic orientations confirm two antiferromagnetic phase transitions around 𝑇 𝑁⁢1 = 10.5K and 𝑇 𝑁⁢2 = 7.5K. Isothermal magnetization data exhibit several metamagnetic transitions below these transition temperatures. Antiferromagnetic phase transitions in EuAg 4 Sb 2 are further confirmed by two sharp peaks in the temperature-dependent heat capacity data at 𝑇 𝑁⁢1 and 𝑇 𝑁⁢2 , which shift to lower temperature in the presence of an external magnetic field. Our systematic heat capacity measurements utilizing a long-pulse and single-slope analysis technique allow us to detect a first-order phase transition in EuAg 4 Sb 2 at 7.5 K. The temperature-dependent electrical resistivity data also manifest two features associated with magnetic order. The magnetoresistance exhibits a broad hump due to a field-induced metamagnetic transition. Remarkably, the magnetoresistance keeps increasing without showing any tendency to saturate as the applied magnetic field increases, and it reaches ∼20 000% at 1.6 K and 60 T. At high magnetic fields, several magnetic quantum oscillations are observed, indicating a complex Fermi surface. A large negative magnetoresistance of about −55% is also observed near 𝑇 𝑁⁢1 . Moreover, the 𝐻−𝑇 phase diagram constructed using magnetization, heat capacity, and magnetotransport data indicates complex magnetic behavior in EuAg 4 Sb 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2024

Extraordinary phase transition revealed in a van der Waals antiferromagnet

While the surface-bulk correspondence has been ubiquitously shown in topological phases, the relationship between surface and bulk in Landau-like phases is much less explored. Theoretical investigations since 1970s for semi-infinite systems have predicted the possibility of the surface order emerging at a higher temperature than the bulk, clearly illustrating a counterintuitive situation and greatly enriching phase transitions. But experimental realizations of this prediction remain missing. Here, we demonstrate the higher-temperature surface and lower-temperature bulk phase transitions in CrSBr, a van der Waals (vdW) layered antiferromagnet. We leverage the surface sensitivity of electric dipole second harmonic generation (SHG) to resolve surface magnetism, the bulk nature of electric quadrupole SHG to probe bulk spin correlations, and their interference to capture the two magnetic domain states. Our density functional theory calculations show the suppression of ferromagnetic-antiferromagnetic competition at the surface is responsible for this enhanced surface magnetism. Our results not only show counterintuitive, richer phase transitions in vdW magnets, but also provide viable ways to enhance magnetism in their 2D form.

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

Decoupled few-femtosecond phase transitions in vanadium dioxide

Abstract The nature of the insulator-to-metal phase transition in vanadium dioxide (VO 2 ) is one of the longest-standing problems in condensed-matter physics. Ultrafast spectroscopy has long promised to determine whether the transition is primarily driven by the electronic or structural degree of freedom, but measurements to date have been stymied by their sensitivity to only one of these components and/or their limited temporal resolution. Here we use ultra-broadband few-femtosecond pump-probe spectroscopy to resolve the electronic and structural phase transitions in VO 2 at their fundamental time scales. Our experiments show that the system transforms into a bad-metallic phase within 10 fs after photoexcitation, but requires another 100 fs to complete the transition, during which we observe electronic oscillations and a partial re-opening of the bandgap, signalling a transient semi-metallic state. Comparisons with tensor-network simulations and density-functional theory calculations show these features result from an unexpectedly fast structural transition, in which the vanadium dimers separate and untwist with two different timescales. Our results resolve the structural and electronic nature of the light-induced phase transition in VO 2 and establish ultra-broadband few-femtosecond spectroscopy as a powerful tool for studying quantum materials out of equilibrium.

Science & Technology - Other Topics↗
DOE OSTI2025

Field-tunable BKT and quantum phase transitions in spin-$\frac{1}{2}$ triangular lattice antiferromagnet

Quantum magnetism is one of the most active fields for exploring exotic phases and phase transitions. The recently synthesized Na 2 BaCo(PO 4 ) 2 (NBCP) is an ideal material incarnation of the spin-$\frac{1}{2}$ easy-axis triangular lattice antiferromagnet (TLAF). Experimental evidence shows that NBCP hosts the spin supersolid state with a giant magnetocaloric effect. Theory further predicts that magnetic fields can drive NBCP through Berezinskii-Kosterlitz-Thouless (BKT) and other richer quantum phase transitions. However, detecting these transitions is challenging, as they onset at ultralow temperatures near 60 mK and require high magnetization sensitivity. Using a newly developed gradient force magnetometer in a dilution refrigerator, we mapped the magnetic susceptibility phase diagram down to 30 mK. Our results provide a more comprehensive and accurate understanding of BKT melting of spin supersolidity and several field-tunable quantum phase transitions, which establish NBCP as a model platform for frustrated magnetism and highlight potential applications of its giant magnetocaloric effects.

BKT transition↗
DOE OSTI2024

Microscopic origin of criticality at macroscale in QCD chiral phase transition

We reveal that the criticality of the chiral phase transition in QCD at the macroscale arises from the microscopic energy levels of its fundamental constituents, the quarks. We establish a novel relation between cumulants of the chiral order parameter (i.e., chiral condensate) and correlations among the energy levels of quarks (i.e., eigenspectra of the massless Dirac operator), which naturally leads to a generalization of the Banks-Casher relation. Based on this novel relation and through (2+1)-flavor lattice QCD calculations using the HISQ action with varying light quark masses in the vicinity of the chiral phase transition, we demonstrate that the correlations among the infrared part of the Dirac eigenspectra exhibit same universal scaling behaviors as expected of the cumulants of the chiral condensate. We find that these universal scaling behaviors extend up to the physical values of the up and down quark masses.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Strength, deformation, and the fcc–hcp phase transition in condensed Kr and Xe to the 100 GPa pressure range

The rare gas solids exhibit systematic differences in crystal structure, phase transition conditions, bond strength, and other physical properties. The physical properties of heavy rare gas solids krypton and xenon are modified by the martensitic phase transition from face-centered cubic to hexagonal close packed structure over a broad pressure range. Crystal structure, strength, and plastic deformation of krypton and xenon have been investigated at 300 K using compression in the diamond-anvil cell with synchrotron angle-dispersive x-ray diffraction and complementary ruby fluorescence spectroscopy for Xe. Stacking faults indicative of the fcc–hcp phase transition are observed at pressures at and above 1.23 ± 0.05 and 1.9 ± 0.6 GPa in Kr and Xe, respectively. The transition remains incomplete in both solids to pressures greater than 100 GPa. Strength determined from stress measurements in Pt and ruby standards at pressures up to 111 GPa and complemented by observations of strain and texture measurements obtained by x-ray diffraction in the radial geometry to 100 GPa indicates similar or higher strength than Ar at all conditions, with significant stiffening at 15–20 GPa. Radial diffraction data reveal the persistence of broad highly textured fcc diffraction lines to 101 GPa in Xe, suggesting that the axial measurements may underestimate the metastable persistence of the fcc phase due to biased sampling of hcp crystallites resulting from preferred crystallite orientation. Kr and Xe are compared with He, Ne, and Ar for a systematic understanding of physical properties and phase equilibria of rare gas solids.

Compressive stress↗
DOE OSTI2024

Primordial black holes from bubble collisions during a first-order phase transition

We study the possibility of production of primordial black holes (PBHs) from bubble collisions during a first-order phase transition. While typical colliding bubbles are small and irrelevant for PBH production, we find that those that can produce PBHs must have a macroscopically thick fluid shell and have been born much before the typical nucleation time. Particularly large uncertainties arise from an exponential sensitivity of the nucleation rate on the required duration of bubble growth which depends on the details of the collisions and the evolution of the spacetime metric toward the end of the phase transition. We introduce a few parameters to be obtained from future numerical simulation to represent those unknowns, and estimate the PBH abundance in an Abelian Higgs benchmark model and show that it can be significant. We predict an approximately monochromatic PBH mass spectrum, and find regions in the parameter space where the PBHs can constitute entire dark matter or even overclose the Universe. Our result thus shows that models with a first-order phase transition can be constrained by overabundant PBHs or null results of other PBH searches. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Observation of the magnonic Dicke superradiant phase transition

Two-level atoms ultrastrongly coupled with single-mode cavity photons are predicted to exhibit a quantum phase transition, entering a phase in which both the atomic polarization and the photonic field are finite even without external driving. However, this phenomenon, the superradiant phase transition (SRPT), is forbidden by a no-go theorem due to the existence of the diamagnetic term. Here, we present spectroscopic evidence for a magnonic SRPT in ErFeO 3 , where the role of the photonic mode (two-level atoms) in the photonic SRPT is played by an Fe 3+ magnon mode (Er 3+ spins). The absence of the diamagnetic term in the Fe 3+ -Er 3+ exchange coupling ensures that the no-go theorem does not apply. Ultrabroadband terahertz and gigahertz magnetospectroscopy experiments revealed the signatures of the SRPT in thermal equilibrium, a kink and a softening, respectively, of two spin-magnon hybridized modes at the critical point. Systems near this phase are expected to harbor large-scale squeezing, which will potentially provide a route to next-generation quantum technologies.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Observable CMB B -modes from cosmological phase transitions

A B -mode polarization signal in the cosmic microwave background (CMB) is widely regarded as smoking gun evidence for gravitational waves produced during inflation. Here, we demonstrate that tensor perturbations sourced during noninflationary epochs can yield non-negligible B -mode signals, which can in principle complicate the interpretation of future observational data. As a case study, we consider tensor perturbations sourced in the bubble collision stage of a first-order cosmological phase transition occurring in a secluded dark sector. Although phase transitions arise from causal subhorizon physics, they nevertheless exhibit a white noise power spectrum on superhorizon scales. Power is suppressed on the large scales relevant for CMB B -mode polarization, but it is not necessarily negligible. We show that for appropriately chosen phase transition parameters, the maximal B -mode amplitude can compete with inflationary predictions that can be tested with current and future experiments. These scenarios can be differentiated by performing measurements on multiple angular scales, since the phase transition signal predicts peak power on smaller scales.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Vibrational Dynamics and Phase Transitions of Hydrazine to 50 GPa

The high pressure behavior of hydrazine, N 2 H 4 , has been investigated to 50 GPa at room temperature using infrared and Raman spectroscopy to explore pressure induced phase transitions and changes in hydrogen bonding. Three solid–solid phase transitions were detected at 11, 21, and 32 GPa on room temperature compression through dramatic changes in the lattice vibration and N–H stretching regions with increasing pressure in both measurement techniques. The transition to phase IV, which appears at 32 GPa, exhibits increased hydrogen bonding with significant hysteresis, persisting to 9 GPa on decompression. This work presents a detailed analysis of the pressure dependence of mode shifts and calculations of mode Grüneisen parameters as well as a determination of an approximate thermodynamic Grüneisen parameter. We compare these results to the behavior of other small molecular materials such as ammonia and water and explore the evolution of hydrogen bonding in hydrazine toward the symmetrically hydrogen bonded state, which has previously been suggested by theoretical computations.

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

Size-dependent second-order-like phase transitions in Fe nanocluster melting from low-temperature structural isomerization

Here, in this work, the melting phase transitions of Fe n nanoclusters with 10 ≤ n ≤ 100 atoms are investigated using classical many-body molecular dynamics simulations. For many cluster sizes, surface melting occurs at much lower temperatures than core melting. Surface and core melting points and energetic melting points (temperatures of maximum heat capacity, C v ) are calculated for all cluster sizes. Melting properties are found to be strong functions of cluster structure. Cluster sizes with closed-shell structures always have first-order-like phase transitions. Almost one-third of cluster sizes in the analyzed range exhibit second-order-like phase transitions due to the presence of multiple structural configurations close in energy. 1-shell clusters with one to a few more atoms than a neighboring closed-shell structure have very low surface melting points and very high energetic melting points compared to their closed-shell counterparts. In clusters above 50 atoms with certain core structures, melting of the surface before the core was observed.

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

Raman Fingerprints of Phase Transitions and Ferroic Couplings in van der Waals Multiferroic CuCrP 2 S 6

CuCrP 2 S 6 (CCPS), a type-II multiferroic material, exhibits unique phase transitions involving ferroelectric, antiferroelectric, and antiferromagnetic ordering. Here, in this study, we conduct a comprehensive investigation on the intricate phase transitions and their multiferroic couplings in CCPS across a wide temperature range from 4 to 345 K through Raman spectroscopic measurements down to 5 cm –1 . We first assign the observed Raman modes with the support of theoretical calculations and angle-resolved polarized Raman measurements. We further present clear signatures of phase transitions from the analyses of temperature-dependent Raman spectral parameters. Particularly, two low-frequency soft modes are observed at 36.1 cm –1 and 70.5 cm –1 below 145 K, indicating the antiferroelectric to quasi-antiferroelectric transition. Moreover, phonon mode hardening is observed when the temperature increases from 4 to 65 K, suggesting negative thermal expansion (NTE) and strong magnetoelastic coupling below 65 K. These findings advance the understanding of vdW multiferroic CCPS, paving the way for future design and engineering of multiferroicity in cutting-edge technologies, such as spintronics and quantum devices.

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

Decision-tree structures utilizing a phase-transition material

The rich internal physics due to competing electronic phases present in phase-transition materials such as VO2 offer the potential for compact building block design for emerging non-von Neumann computing technologies. Here, based on the relaxation dynamics of an insulator-metal phase transition, we demonstrate experimentally a decision-tree classifier embedded within a single volatile resistive switching device. The tree is constructed by the combination of the voltage pulse and relaxation time and can adapt to different tasks. We use machine learning to analyze the relaxation process, enabling a predictive voltage-relaxation time phase diagram for the electrical resistance state. Classification of the etiology of the chronic cough is presented as a proof-of-principle use case. Further, our approach can be generalized to broader classes of solid-state and solid-liquid interfacial systems that demonstrate a variety of phase relaxations.

36 MATERIALS SCIENCE↗