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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
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 OSTI2025

Magnetoelastic-coupling-assisted first-order antiferromagnetic transitions in the corrugated honeycomb-lattice compounds (Ca, Sr) ⁢Mn 2 ⁢ P 2

Understanding the origin of unconventional magnetic order is a central theme in the research field of functional quantum materials for spin-dependent applications. In general, a paramagnetic (PM) to antiferromagnetic (AFM) transition is of thermodynamically second order in nature in the absence of a magnetic field. In the magnetically frustrated corrugated-honeycomb lattice compounds (Ca, Sr) ⁢Mn 2 ⁢ P 2 , electrical resistivity 𝜌 measurements in the 𝑎⁢𝑏 plane are reported to exhibit sharp discontinuities at the respective PM to AFM ordering temperatures 𝑇 N = 69.5 and 53 K, respectively, signifying the unusual first-order nature of the AFM transition. To reveal the origin of such anomalous transitions, high-resolution linear thermal-expansion measurements are reported for both CaMn 2 ⁢P 2 and SrMn 2 ⁢ P 2 in the 𝑎⁢𝑏 plane and along the 𝑐 axis using capacitance dilatometry. The thermal expansion measurements show a sharp discontinuity in Δ⁢𝐿/𝐿 at 𝑇 N , yielding a diverging behavior in the thermal expansion coefficient 𝛼⁡(𝑇) associated with strong magnetoelastic coupling, driving the first-order AFM transition in CaMn 2 ⁢P 2 . However, this effect is weaker in SrMn 2 ⁢P 2 , consistent with the magnetic entropy changes 𝑆⁡(𝑇) obtained from the heat-capacity measurements. Temperature-dependent 𝑎⁢𝑏-plane x-ray diffraction measurements for CaMn 2 ⁢ P 2 near its 𝑇 N yield a volume thermal expansion coefficient consistent with literature data for other materials. The uniaxial pressure derivatives of 𝑇 N in the two compounds are found to be respectively opposite in sign, presumably due to the different magnetic structures.

Pakhira, Santanu [Maulana Azad National Institute ↗
DOE OSTI2025

Skyrmion-skyrmionium phase separation and laning transitions via spin-orbit torque currents

Many driven binary systems can exhibit laning transitions when the two species have different mobilities, such as colloidal particles with opposite charges in electric fields. Another example is pedestrian or active-matter systems, where particles moving in opposite directions form a phase-separated state that enhances the overall mobility. In this work, we use atomistic simulations to demonstrate that mixtures of skyrmions and skyrmioniums also exhibit pattern formation and laning transitions. Skyrmions move more slowly and at a finite skyrmion Hall angle compared to skyrmioniums, which move faster and without a skyrmion Hall effect. At low drives, the system forms a partially jammed phase where the skyrmioniums are dragged by the surrounding skyrmions, resulting in a finite angle of motion for the skyrmioniums. At higher drives, the system transitions into a laned state, but unlike colloidal systems, the lanes in the skyrmion-skyrmionium mixture are tilted relative to the driving direction due to the intrinsic skyrmion Hall angle. In the laned state, the skyrmionium angle of motion is reversed when it aligns with the tilted lane structure. At even higher drives, the skyrmioniums collapse into skyrmions. Below a critical skyrmion density, both textures can move independently with few collisions, but above this density, the laning state disappears entirely, and the system transitions to a skyrmion-only state. We map out the velocity and Hall responses of the different textures and identify three distinct phases: partially jammed, laned, and skyrmion-only moving crystal states. In conclusion, we compare our results to recent observations of tilted laning phases in pedestrian flows, where chiral symmetry breaking in the particle interactions leads to similar behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Seamless Transition of Critical Infrastructures using Droop Controlled Grid-forming Inverters

Seamless recovery of power to critical infrastructures, after grid failure, is a crucial need arising in scenarios that are increasingly becoming more frequent. Here, this article proposes a seamless transition strategy using a single and unified mode-dependent droop controlled grid-forming inverters. The control strategy achieves the following objectives: 1) regulates the output active and reactive power by the droop-controlled inverters to a desired value while operating in on-grid mode; 2) seamless transition and recovery of power injections into the load after grid failure by inverters that operates in grid-forming mode all the time; 3) requires only a single bit of information on the grid/network status for the mode transition. A framework for assessing the stability of the system and to guide the choice of parameters for controllers is developed using control-oriented modeling. A controller hardware-in-the-loop-based real-time simulation study on a test system based on the realistic electrical network of a commercial-scale medical center is conducted for initial prototyping of the control strategy. A hardware experiment is conducted with two 3 - $\phi$, 480 -V, 125 -kVA grid-forming inverters, a 3 - $\phi$, 480 -V, 270 -kVA grid simulator, a physical grid switch, and a physical load bank. The experimental data establishes the effectiveness of the always grid-forming operation and control of inverters in meeting power delivery objectives when on-grid and off-grid under various kinds of loads and scenarios while minimizing transients during transitions. Furthermore, performance comparison with existing strategies showcases the advantage of the proposed strategy.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Evidence for a delocalization quantum phase transition without symmetry breaking in CeCoIn 5

The study of quantum phase transitions that are not clearly associated with broken symmetry is a major effort in condensed matter physics, particularly in regard to the problem of high-temperature superconductivity, for which such transitions are thought to underlie the mechanism of superconductivity itself. Here we argue that the putative quantum critical point in the prototypical unconventional superconductor CeCoIn 5 is characterized by the delocalization of electrons in a transition that connects two Fermi surfaces of different volumes, with no apparent broken symmetry. Drawing on established theory of f-electron metals, we discuss an interpretation for such a transition that involves the fractionalization of spin and charge, a model that effectively describes the anomalous transport behavior we measured for the Hall effect.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Characterizing Near-Surface Moisture Increase during the Clear-Sky Afternoon-to-Evening Transition Using a Single-Column Model

The afternoon-to-evening transition is the period when the atmospheric boundary layer transitions from convective to stable conditions. One noticeable feature during this transition period is the rapid increase in water vapor concentration near the surface. However, the mechanism behind the increase in water vapor remains poorly understood. This study investigated the processes contributing to the water vapor increase and the impacts of the land cover and horizontal advection on the water vapor increase using a single-column model for the clear-sky condition. Numerical experiments were conducted on three cases at the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site. Evapotranspiration was found to be the main moisture source to the water vapor increase, and that change of the near-surface vertical temperature gradient from negative to positive is the trigger for this increase during the afternoon-to-evening transition. This is because the near-surface turbulence divergence term decreases due to the change in the buoyancy profile caused by vertical temperature gradient change. The impact of horizontal advection on water vapor varies, and it can either lead to an increase or a decrease in water vapor, depending on the spatial horizontal water vapor gradient. This study also found that land cover can influence the timing of the water vapor increase since different land covers may have different Bowen ratios. Water vapor increases earlier under conditions with smaller Bowen ratios compared to those with larger values.

Atmosphere-land interaction↗
DOE OSTI2020

Dynamics of Quantum Phase Transitions

This presentation covers a study of the formation of topological defects and excitations in dynamical (quenched) quantum phase transitions (theory, numerics, & BEC experiment). The FY20 main accomplishment has been the establishment of the role of the “sonic horizon” in the Kibble-Zurek mechanism (KZM). Experimental aspects of the study, such as the numerical simulation of the expected dynamics) have been “on hold” due to COVID. Plans for the future entail studying the dynamics of quantum phase transition in 2D quantum Ising, as well as a BEC miscibility/immiscibility phase transition experiment (COVID permitting). The mission impact of this study is a contribution to LANL's “Science Discovery and Innovation” mission, e.g. to “Information Science and Technology”. (D-Wave is a dynamical phase transition.)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Artificial High-Transition Temperature Superconductors

In this work, we have used the well-understood quantum Hall (QH) stripes in high quality two-dimensional electron gases to mimic charge stripes in high transition temperature (Tc) superconductors. The science question we want to address is “Can QH stripes mimic high Tc superconductor stripes and provide a controlled experimental setup to pin-down the role of stripes in high Tc superconductivity?”. We have observed anomalous superconducting transition like behavior in GaAs double quantum well systems (DQWs) when each quantum well (QW) is tuned to the charge stripe states but with different Landau level fillings. Furthermore, we have shown that the transition like behavior is sharper in the DQWs when the two QWs are more strongly coupled. Our results suggest, for the first time, experimental evidence of the paired charge stripes model, which might lead to room-temperature superconductors that have enormously wide applications in computing, energy, and transportation industries. Advancing the science of high transition temperature superconductivity will have a profound impact in advancing energy technologies, ranging from the next generation microchips, new energy transfer grid to public transportation, and thus is important to nation’s energy security and relevant across the landscape of many mission spaces. Sandia has been a leader in materials science research and development. The proposed research takes advantage of Sandia’s state-ofthe-art MBE facilities at the Center for Integrated Nanotechnologies (CINT) and utilizes Sandia’s extensive advanced materials characterization resources. We envision a significant impact on the nation’s energy research and security challenges by investing in this research.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Probing Supercritical Phase Transition using Ultrafast X-ray Diagnostics (Final Technical Report)

Over recent years, several hypotheses have been put forward to elucidate supercritical transition states. Despite significant progress on the fundamental understanding of fluids at these supercritical conditions, important questions concerning the microstructure and dynamical processes remain. A particular research issue is hereby the fundamental understanding of the morphology of the molecular microstructure and its effect on the macroscopic behaviour and thermodynamic response functions. It is widely believed that the supercritical state is homogeneous without structural and dynamic observables to distinguish between a liquid and a vapor. However, recent investigations have identified regions of distinct liquid-like or vapor-like properties even under supercritical conditions. Specifically, it was shown that the transition between liquid-like and vapor-like states occurs across an extension to the coexistence line, marked by almost discontinuous changes in fluid properties. This transition was first identified experimentally by Nishikawa and Tanaka and stands in contrast to the classical presentation of the supercritical state space as a featureless, homogeneous domain. Structurally, the most important properties of supercritical fluids are the dynamic heterogeneities and local density fluctuations that are present within the fluid state at the microscopic level. These inhomogeneities are associated with the formation of molecular clusters of various sizes with liquid-like properties separated by voids of unbound gas-phase molecules which continuously restructure itself at picosecond timescales. By utilizing ultrafast X-ray Photon Correlation Spectroscopy (XPCS) at the Linac Coherent Light Source (LCLS) and X-ray synchrotron measurements as an experimental probe of these structural changes at the molecular level we seek to elucidate the higher-order phase transition from a liquid-like to a vapor-like state in the region extending the critical point. Open questions we seek to address particularly with XPCS are: (i) the underlying mechanisms responsible for the density fluctuations at supercritical conditions and how these dynamical processes at the molecular level affect the thermodynamic response functions and (ii) on what timescales do dynamical processes evolve that are associated with thermalization, molecular diffusion, and intermolecular cluster transfer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Integrating Microtransit with Public Transit for Coordinated Multi-Modal Movement of People (Final Technical Report)

This project focused on potential benefits of mobility service providers and transit agencies cooperating to offer fully integrated, seamless multi-modal mobility services for commuters. Specifically, we aimed at developing a first/last mile microtransit and micromobility services tightly integrated with fixed-route transit to achieve the “point-to-point” service capability. Our goal was to provide fixed-route transit customers with two convenient and compelling options for accessing public transit that are also operational efficient.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Physical Mechanisms and Electric-Bias Control of Phase Transitions in Quasi-2D Charge-Density-Wave Quantum Materials

The goals of this fundamental science project, aimed at understanding the physical mechanisms and developing methods for electric-bias control of phase transitions in quasi-2D CDW materials, have been achieved. We focused on 1T-TaS2, one of the most interesting materials of this type, and demonstrated electrical gating of the I-V characteristics and hysteresis in this material. The demonstration of electrical gating of CDW phases in quasi-2D material was performed at RT. We have conducted experiments to separate the electric-field CDW switching from Joule heating-induced switching. This was an important development for 2D CDW materials. The project has led to a better understanding of the physical mechanisms behind the phase transitions and CDW depinning in quasi-2D van der Waals materials. We established that the CDW domain depinning in 1T-TaS2 does not lead to a strong increase in the collective current and accompanying narrow-band noise. We developed a technique that utilized the low-frequency noise measurements in such materials for monitoring the CDW phase transitions. In the experiments where 1T-TaS2 flakes were used in polymeric matrices, we verified the robustness of the phase transitions between the nearly commensurate and incommensurate CDW phases.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Searching for Phase Transitions in Artificial Kagome Spin Ice

Artificial Kagome spin ice is a metasurface consisting of small islands of polarizable magnets. These islands can be oriented by an external magnetic field applied in the same plane as the metasurface. By subsequently applying a relatively weaker field in the opposite direction of the initial field, a portion of the magnets in the lattice can be repolarized or “flipped” the other way. These flips cause instabilities in a previously uniformly aligned lattice, causing the system to interact with itself and induce changes in the overall magnetization of the metasurface. This Summer, my goal was to use this phenomenon to discern whether or not these systems could undergo a phase transition caused only by the initial change of the external magnetic field. Based on previous datasets that indicated that such a transition was observable, my task was to find and reproduce this potential phenomena. This process was conducted by repeating measurements on the system by using an external magnet to align the spin ice and then using Magnetic Force Microscopy (MFM) to probe the surface of the material to understand the changes in the magnetization over time. This report will discuss the characteristics of artificial Kagome spin ice, the methodology used to induce phase transitions, and the image processing methods used to understand the results. Although no reproducible evidence of a phase transition was found during the Summer, we were able to successfully reproduce short-term responses in the spin ice, as well as plot a hysteresis curve of the material.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Transition Metal Taggants in UO 2 from First Principles

The incorporation of transition metals into nuclear fuel has gained attention both to improve fuel properties and as a possible nuclear forensics tool. Recent experimental studies by Ulrich et al. and Adorno Lopes et al. have investigated Ni and Fe as candidate transition metal dopants for potential nuclear forensics purposes and found that there is minimal alteration to key UO 2 fuel properties. In the present work, we performed density functional theory (DFT) investigations into possible defect structures for Ni and Fe incorporation. The dynamic stability of these defect structures was validated by calculating the phonon density of states. We found that transition metal incorporation likely occurs via substitution at U sites in the fluorite crystal structure with a nearby O vacancy for charge-balancing, which agrees with experimentally proposed structures. Additionally, this defect structure does not cause long-range alterations to the crystal parameters—an important consideration for use as a nuclear fuel taggant. Future needed work involves computational investigation of additional defect concentrations using larger supercells, additional transition metal charge states, and thermal effects. Such investigations can be carried forward into sintering models for a more complete understanding of the suitability of Ni and Fe as fuel taggants.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Size Dependence of the Tetragonal to Orthorhombic Phase Transition of Ammonia Borane in Nanoconfinement

We have investigated the thermodynamic property modification of ammonia borane via nanoconfinement. Two different mesoporous silica scaffolds, SBA-15 and MCM-41, were used to confine ammonia borane. Using in situ Raman spectroscopy, we examined how pore size influences the phase transition temperature from tetragonal (I4mm) to orthorhombic (Pmn21) for ammonia borane. In bulk ammonia borane, the phase transition occurs at around 217 K; however, confinement in SBA-15 (with ~8 nm pore sizes) reduces this temperature to approximately 195 K, while confinement in MCM-41 (with pore sizes of 2.1–2.7 nm) further lowers it to below 90 K. This suppression of the phase transition as a function of pore size has not been previously studied using Raman spectroscopy. The stability of the I4mm phase at a much lower temperature can be interpreted by incorporating the surface energy terms to the overall free energy of the system in a simple thermodynamic model, which leads to a significant increase in the surface energy when transitioning from the tetragonal phase to the orthorhombic phase.

Najiba, Shah↗
DOE OSTI2021

Coexisting Multiple Martensites in Ni 57-x Mn 21+x Ga 22 Ferromagnetic Shape Memory Alloys: Crystal Structure and Phase Transition

A comprehensive study of the crystal structure and phase transition as a function of temperature and composition in Ni 57–x Mn 21+x Ga 22 (x = 0, 2, 4, 5.5, 7, 8) (at. %) magnetic shape memory alloys was performed by a temperature-dependent synchrotron X-ray diffraction technique and transmission electron microscopy. A phase diagram of this Ni 57–x Mn 21+x Ga 22 alloy system was constructed. The transition between coexisting multiple martensites with monoclinic and tetragonal structures during cooling was observed in the Ni 51.5 Mn 26.5 Ga 22 (x = 5.5) alloy, and it was found that 5M + 7M multiple martensites coexist from 300 K to 160 K and that 5M + 7M + NM multiple martensites coexist between 150 K and 100 K. The magnetic-field-induced transformation from 7M martensite to NM martensite at 140 K where 5M + 7M + NM multiple martensites coexist before applying the magnetic field was observed by in situ neutron diffraction experiments. The present study is instructive for understanding the phase transition between coexisting multiple martensites under external fields and may shed light on the design of novel functional properties based on such phase transitions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effects of Plasma on Physical Properties of Water: Nanocrystalline-to-Amorphous Phase Transition and Improving Produce Washing

Washing fresh produce using Plasma-activated water recently became a promising eco-friendly alternative to using chemical additives such as Chlorine. We discuss the produce-washing experiments that illustrate that addition of plasma to washing water is a multi-faced phenomena. Not only it increases the sterilization ability of water by killing pathogens, but it also has improved washibility: the ability to remove pathogens from the cleaning surface. We propose an explanation of these features based on the recently discoveries that many physical and chemical properties of water change their temperature dependence between about 35 and 60 degrees Celsius. In particular, heat conductance, light absorption, and surface tension all change their temperature dependence. These drastic changes were associated with water gradually changing its mesoscopic structure: while at the higher temperatures water is a uniform media (amorphous state), at the temperatures below transition it consists of many nano-to-micro-scale clusters (crystalline state). This transition is similar to the second order phase transition. In the present paper we propose that treating water with non-thermal plasma (adding plasma-created active compounds) can lower the temperature of the transition and thus cause a significant change in such physical quantities as surface tension, viscosity, freezing rate, and wettability and washability.

He, Jinjie↗
DOE OSTI2020

KELT-9 b’s Asymmetric TESS Transit Caused by Rapid Stellar Rotation and Spin–Orbit Misalignment

KELT-9 b is an ultra-hot Jupiter transiting a rapidly rotating, oblate early-A-type star in a polar orbit. We model the effect of rapid stellar rotation on KELT-9 b’s transit light curve using photometry from the Transiting Exoplanet Survey Satellite to constrain the planet’s true spin–orbit angle and to explore how KELT-9 b may be influenced by stellar gravity darkening. We constrain the host star’s equatorial radius to be 1.089 ± 0.017 times as large as its polar radius and its local surface brightness to vary by ∼38% between its hot poles and cooler equator. We model the stellar oblateness and surface brightness gradient and find that it causes the transit light curve to lack the usual symmetry around the time of minimum light. We take advantage of the light-curve asymmetry to constrain KELT-9 b’s true spin–orbit angle (87{sup ∘}{sub −11{sup ∘+10{sup {sup ∘}}}}), agreeing with Gaudi et al. that KELT-9 b is in a nearly polar orbit. We also apply a gravity-darkening correction to the spectral energy distribution model from Gaudi et al. and find that accounting for rapid rotation gives a better fit to available spectroscopy and yields a more reliable estimate for the star’s polar effective temperature.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Two Intermediate-mass Transiting Brown Dwarfs from the TESS Mission

We report the discovery of two intermediate-mass transiting brown dwarfs (BDs), TOI-569b and TOI-1406b, from NASA’s Transiting Exoplanet Survey Satellite mission. TOI-569b has an orbital period of P = 6.55604 ± 0.00016 days, a mass of M {sub b} = 64.1 ± 1.9 M{sub J}, and a radius of R {sub b} = 0.75 ± 0.02 R{sub J}. Its host star, TOI-569, has a mass of M {sub ⋆} = 1.21 ± 0.05 M{sub ⊙}, a radius of R {sub ⋆} = 1.47 ± 0.03 R{sub ⊙}, [Fe/H]=+0.29±0.09 dex, and an effective temperature of T {sub eff} = 5768 ± 110 K. TOI-1406b has an orbital period of P = 10.57415 ± 0.00063 days, a mass of M {sub b} = 46.0 ± 2.7 M{sub J}, and a radius of R {sub b} = 0.86 ± 0.03 R{sub J}. The host star for this BD has a mass of M {sub ⋆} = 1.18 ± 0.09 M{sub ⊙}, a radius of R {sub ⋆} = 1.35 ± 0.03 R{sub ⊙}, [Fe/H]=−0.08±0.09 dex, and an effective temperature of T {sub eff} = 6290 ± 100 K. Both BDs are in circular orbits around their host stars and are older than 3 Gyr based on stellar isochrone models of the stars. TOI-569 is one of two slightly evolved stars known to host a transiting BD (the other being KOI-415). TOI-1406b is one of three known transiting BDs to occupy the mass range of 40–50 M{sub J} and one of two to have a circular orbit at a period near 10 days (with the first being KOI-205b). Both BDs have reliable ages from stellar isochrones, in addition to their well-constrained masses and radii, making them particularly valuable as tests for substellar isochrones in the BD mass–radius diagram.

79 ASTRONOMY AND ASTROPHYSICS↗