Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “phase transition by order”

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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Strain-Induced Quantum Phase Transitions in Magic-Angle Graphene

In this work, we investigate the effect of uniaxial heterostrain on the interacting phase diagram of magic-angle twisted bilayer graphene. Using both self-consistent Hartree-Fock and density-matrix renormalization group calculations, we find that small strain values (ε~0.1%-0.2%) drive a zero-temperature phase transition between the symmetry-broken "Kramers intervalley-coherent" insulator and a nematic semimetal. The critical strain lies within the range of experimentally observed strain values, and we therefore predict that strain is at least partly responsible for the sample-dependent experimental observations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Designing a quantum-accurate machine-learning potential to enable large-scale simulations of deuterium under shock

Large-scale molecular dynamics of deuterium under shock can elucidate kinetic processes vital to the target design in inertial confinement fusion and high-energy-density experiments. However, modeling the complex evolution of this material from an insulating molecular state at ambient pressure to an ionized, atomic fluid under strong shock is beyond the capability of simple pair and even bond order potentials. We thus train a quantum-accurate and broadly transferable machine-learning interatomic potential for deuterium using the Chebyshev Interaction Model for Efficient Simulations framework. We show that due to an improved description of the molecular-to-atomic transition, our model is able to better reproduce the ab initio equation of state, radial distribution functions, and principal Hugoniot than bond order potentials. This represents an important step toward large-scale quantum-accurate and nonequilibrium simulations of complicated systems under dynamic changes including phase transitions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
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 OSTI2021

Visualizing broken symmetry and topological defects in a quantum Hall ferromagnet

The interaction between electrons in graphene under high magnetic fields drives the formation of a rich set of quantum Hall ferromagnetic (QHFM) phases with broken spin or valley symmetry. Visualizing atomic-scale electronic wave functions with scanning tunneling spectroscopy (STS), we resolved microscopic signatures of valley ordering in QHFM phases and spectral features of fractional quantum Hall phases of graphene. At charge neutrality, we observed a field-tuned continuous quantum phase transition from a valley-polarized state to an intervalley coherent state, with a Kekulé distortion of its electronic density. Mapping the valley texture extracted from STS measurements of the Kekulé phase, we could visualize valley skyrmion excitations localized near charged defects. Our techniques can be applied to examine valley-ordered phases and their topological excitations in a wide range of materials.

valley symmetry↗
DOE OSTI2023

Ordering of room-temperature magnetic skyrmions in a polar van der Waals magnet

Abstract Control and understanding of ensembles of skyrmions is important for realization of future technologies. In particular, the order-disorder transition associated with the 2D lattice of magnetic skyrmions can have significant implications for transport and other dynamic functionalities. To date, skyrmion ensembles have been primarily studied in bulk crystals, or as isolated skyrmions in thin film devices. Here, we investigate the condensation of the skyrmion phase at room temperature and zero field in a polar, van der Waals magnet. We demonstrate that we can engineer an ordered skyrmion crystal through structural confinement on the μ m scale, showing control over this order-disorder transition on scales relevant for device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Successive magnetic orderings in the Ising spin chain magnet DyNi 5 Ge 3

In this report, we investigated a new rare-earth-based one-dimensional Ising spin chain magnet DyNi 5 Ge 3 by means of magnetization, specific heat, and powder neutron diffraction measurements. Due to the crystalline electrical field splitting, the magnetic Dy ions share an Ising-like ground doublet state. Owning to the local point symmetry, these Ising moments form into two canted magnetic sublattices, which were further confirmed by the angle-dependent magnetization measurement. In zero fields, two successive antiferromagnetic phase transitions were found at temperatures T N1 =6K and T N2 =5K, respectively. Only part of the moments are statically ordered in this intermediate state between T N1 and T N2 . Powder neutron diffraction experiments at different temperatures were performed as well. Further, an incommensurate magnetic propagation vector of k m =(0.5,0.4,0.5) was identified. The refined spin configurations through the irreducible representation analysis confirmed that these Ising spins are canted in the crystal ab plane.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Pressure-induced shift of effective Ce valence, Fermi energy and phase boundaries in CeOs 4 Sb 12

Abstract CeOs 4 Sb 12 , a member of the skutterudite family, has an unusual semimetallic low-temperature L -phase that inhabits a wedge-like area of the field H —temperature T phase diagram. We have conducted measurements of electrical transport and megahertz conductivity on CeOs 4 Sb 12 single crystals under pressures of up to 3 GPa and in high magnetic fields of up to 41 T to investigate the influence of pressure on the different H – T phase boundaries. While the high-temperature valence transition between the metallic H -phase and the L -phase is shifted to higher T by pressures of the order of 1 GPa, we observed only a marginal suppression of the S -phase that is found below 1 K for pressures of up to 1.91 GPa. High-field quantum oscillations have been observed for pressures up to 3.0 GPa and the Fermi surface of the high-field side of the H -phase is found to show a surprising decrease in size with increasing pressure, implying a change in electronic structure rather than a mere contraction of lattice parameters. We evaluate the field-dependence of the effective masses for different pressures and also reflect on the sample dependence of some of the properties of CeOs 4 Sb 12 which appears to be limited to the low-field region.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Vibrational properties of CuInP 2 S 6 across the ferroelectric transition

In order to explore the properties of a two-sublattice ferroelectric, we measured the infrared and Raman scattering response of CuInP 2 S 6 across the ferroelectric and glassy transitions and compared our findings to a symmetry analysis, calculations of phase stability, and lattice dynamics. In addition to uncovering displacive character and a large hysteresis region surrounding the ferroelectric transition temperature T C , we identify the vibrational modes that stabilize the polar phase and confirm the presence of two ferroelectric variants with opposite polarizations. Below T C , a poorly understood relaxational or glassy transition at T g is characterized by local structure changes in the form of subtle peak shifting and activation of low frequency out-of-plane Cu- and In-containing modes. Here, the latter are due to changes in the Cu/In coordination environments and associated order-disorder processes. Moreover, T g takes place in two steps with another large hysteresis region and significant underlying scattering. Combined with imaging of the room temperature phase separation, this effort lays the groundwork for studying CuInP 2 S 6 under external stimuli and in the ultrathin limit.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Synergetic Ferroelectricity and Superconductivity in Zero-Density Dirac Semimetals near Quantum Criticality

Here, we study superconductivity in a three-dimensional zero-density Dirac semimetal in proximity to a ferroelectric quantum critical point. We find that the interplay of criticality, inversion-symmetry breaking, and Dirac dispersion gives rise to a robust superconducting state at the charge-neutrality point, where no Fermi surface is present. Using Eliashberg theory, we show that the ferroelectric quantum critical point is unstable against the formation of a ferroelectric density wave (FDW), whose fluctuations, in turn, lead to a first-order superconducting transition. Surprisingly, long-range superconducting and FDW orders are found to cooperate with each other, in contrast to the more usual scenario of phase competition. Therefore, we suggest that driving charge neutral Dirac materials, e.g., Pb x Sn 1–x Te, through a ferroelectric quantum critical point may lead to superconductivity intertwined with FDW order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Mesoporous MoO 2 thin films for high rate Li + storage: Effect of crystallinity and porous structure

MoO 2 has attracted much recent attention as a high capacity energy storage material. While much of the current work on MoO 2 has been focused on the high capacity four-electron reduction, this reaction is limited to slow charging process due to the large volume change and phase transitions involved. In this study we focus on one-electron insertion reactions and demonstrate that ordered mesoporous thin films of MoO 2 can show signatures of pseudocapacitive charge storage. Mesoporous MoO 2 (mp-MoO 2 ) thin films were treated at different temperatures between 350 and 700 °C to explore the role of crystallinity and nanoscale structure on charging dynamics. The porosity and pore size decreased while the crystallinity and grain size increased as the calcination temperature increased. Materials processed at 600 °C showed the best electrochemical performance due to an optimized combination of high crystallinity and small grain size. These materials could be charged and discharged in 24 s while still achieving a Li + storage capacity of 158 mAh/g. While such thin film systems do not constitute a practical energy storage device, the work here provides structural design parameters for the production of future bulk nanoporous materials.

25 ENERGY STORAGE↗
DOE OSTI2021

Pressure Induced Assembly and Coalescence of Lead Chalcogenide Nanocrystals

We report here pressure induced nanocrystal coalescence of ordered lead chalcogenide nanocrystal arrays into one dimensional (1D) and 2D nanostructures. In particular, atomic crystal phase transitions and mesoscale coalescence of PbS and PbSe nanocrystals have been observed and monitored in-situ respectively by wide- and small-angle synchrotron X-ray scattering techniques. At the atomic scale, both nanocrystals underwent reversible structural transformations from cubic to orthorhombic at significantly higher pressures than those for the corresponding bulk materials. At the mesoscale, PbS nanocrystal arrays displayed a superlattice transformation from face-centered cubic to lamellar structures, while no clear mesoscale lattice transformation was observed for PbSe nanocrystal arrays. Intriguingly, transmission electron microscopy (TEM) showed that the applied pressure forced both spherical nanocrystals to coalesce into single crystalline 2D nanosheets and 1D nanorods. Our results confirm that pressure can be used as a straightforward approach to manipulate the interparticle spacing and engineer nanostructures with specific morphologies, and therefore provide insights into the design and functioning of new semiconductor nanocrystal structures under high-pressure conditions.

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

Impact of a midband gravitational wave experiment on detectability of cosmological stochastic gravitational wave backgrounds

In this report we make forecasts for the impact a future “midband” space-based gravitational wave experiment, most sensitive to 10 -2 - 10Hz,could have on potential detections of cosmological stochastic gravitational wave backgrounds (SGWBs). Specific proposed midband experiments considered are TianGo, B-DECIGO, and AEDGE. We propose a combined power-law integrated sensitivity (CPLS) curve combining GW experiments over different frequency bands, which shows the midband improves sensitivity to SGWBs by up to two orders of magnitude at 10 -2 - 10 Hz . We consider GW emission from cosmic strings and phase transitions as benchmark examples of cosmological SGWBs. We explicitly model various astrophysical SGWB sources, most importantly from unresolved black hole mergers. Using Markov Chain Monte Carlo, we demonstrated that midband experiments can, when combined with LIGO A+ and LISA, significantly improve sensitivities to cosmological SGWBs and better separate them from astrophysical SGWBs. In particular, we forecast that a midband experiment improves sensitivity to cosmic string tension G μ by up to a factor of 10, driven by improved component separation from astrophysical sources. For phase transitions, a midband experiment can detect signals peaking at 0.1–1 Hz, which for our fiducial model corresponds to early Universe temperatures of T * ~10 4 – 10 6 GeV , generally beyond the reach of LIGO and LISA. The midband closes an energy gap and better captures characteristic spectral shape information. It thus substantially improves measurement of the properties of phase transitions at lower energies of T * ~ O(10 3 ) GeV , potentially relevant to new physics at the electroweak scale, whereas in this energy range LISA alone will detect an excess but not effectively measure the phase transition parameters. Our modeling code and chains are publicly available.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Smart Inverters for Seamless Reconnection of Isolated Residential Microgrids to Utility Grid

This paper proposes an approach to achieve seamless reconnection of isolated residential microgrids to utility grid. Any abnormal condition on the grid side results in isolating the residential microgrid from utility grid, and giving the full responsibility of supplying household loads to local distributed generation (DG) units. However, after resolving the abnormal condition on the grid side, the residential microgrid needs to seamlessly reconnect to the main grid. To this end, a seamless transition algorithm is presented which monitors the system condition in real time, and coordinates the operation of all inverter-based DG units in residential microgrid before reconnection to the main grid. A modified control scheme is proposed for single-phase inverters which turns them into smart inverters enable to interact with seamless transition algorithm. The proposed approach synchronizes each phase voltage with its respective grid-side voltage in order to seamlessly reconnect the residential microgrid to the main grid. Case study results are carried out in PSCAD/EMTDC environment to verify the validity of proposed method.

Pilehvar, Mohsen S.↗
NASA NTRS2006

Floating the Ball: Advances in the Technology of Electrostatic Levitation

Electrostatic Levitation (ESL) is an emerging technology. The MSFC ESL is a NASA facility that supports investigations of refractory solids and melts. The facility can be used to process a wide variety of materials including metals, alloys, ceramics, glasses and semiconductors. Containerless processing via ESL provides a high-purity environment for the study of high temperature materials and access to metastable states. Scientific topics investigated in the facility include nucleation, undercooling, metastable state formation and metallic glass formation. Additionally, the MSFC ESL provides data for the determination of phase diagrams, time-temperature-transition diagrams, viscosity, surface tension, density, heat capacity and creep resistance. In order to support a diverse research community, the MSFC ESL facility has developed a number of technical capabilities, including a portable system for in situ studies of structural tran$hrmations during processing at the high-energy X-ray beamline at the Advanced Photon Source of Argonne National Laboratory. The capabilities of the MSFC ESL facilities will be discussed and selected results of materials processing and characterization studies will be presented.

Rogers, Jan R.↗
NASA NTRS2014

Evolution of the Scope and Capabilities of Uplink Support Software for Mars Surface Operations

In January of 2004 both of the Mars Exploration Rover spacecraft landed safely, initiating daily surface operations at the Jet Propulsion Laboratory for what was anticipated to be approximately three months of mobile exploration. The longevity of this mission, still ongoing after ten years, has provided not only a tremendous return of scientific data but also the opportunity to refine and improve the methodology by which robotic Mars surface missions are commanded. Since the landing of the Mars Science Laboratory spacecraft in August of 2012, this methodology has been successfully applied to operate a Martian rover which is both similar to, and quite different from, its predecessors. For MER and MSL, daily uplink operations can be most broadly viewed as converting the combined interests of both the science and engineering teams into a spacecraft-safe set of transmittable command files. In order to accomplish these ends a discrete set of mission-critical software tools were developed which not only allowed for conformation to established JPL standards and practices but also enabled innovative technologies specific to each mission. Although these primary programs provided the requisite capabilities for meeting the high-level goals of each distinct phase of the uplink process, there was little in the way of secondary software to support the smooth flow of data from one phase to the next. In order to address this shortcoming a suite of small software tools was developed to aid in phase transitions, as well as to automate some of the more laborious and error-prone aspects of uplink operations. This paper describes the evolution of this software suite, from its initial attempts to merely shorten the duration of the operator's shift, to its current role as an indispensable tool enforcing workflow of the uplink operations process and agilely responding to the new and unexpected challenges of missions which can, and have, lasted many years longer than originally anticipated.

CoUGAR↗
NASA NTRS1975

Adiabatic invariants and phase equilibria for first-order orbital resonances

In the planar circular restricted three-body problem, the evolution of near-commensurable orbits is studied under change in the mass ratio, mu. The evolution involves preservation of two adiabatic invariants. Transition from circulation to libration may occur; such transitions are of two types. Type I transition occurs when the evolutionary track in phase space passes through near-zero eccentricity; as in the ordinary case (no transition), pre- and post-evolutionary states are linked by solution of a two-point boundary-value problem. Type II transition occurs when the evolutionary track encounters an unstable phase equilibrium or periodic orbit. There is then a discontinuous change in one adiabatic invariant, and pre- and post-evolutionary states are linked by solution of a three-point boundary-value problem. No evolutionary track can encounter a stable phase equilibrium, but the class of all stable phase equilibria is mapped into itself under mu change.

Heppenheimer, T. A.↗
DOE OSTI2026

Structural, magnetic and electrical transport properties of YMnAl

The intermetallic compound YMnAl, crystallizing in the cubic C-15 (MgCu 2 -type) structure, was prepared using arc-melting and annealing. Rietveld refinement of the XRD pattern yields a lattice parameter of a = 7.816(1) Å⁠. The system exhibits antiferromagnetic order with a transition temperature of approximately 38 K, along with indications of a spin-glass–like phase. The effective magnetic moment, estimated from Curie–Weiss fitting of the susceptibility versus temperature curve, is 6.06 μ B /f.u. and the Curie–Weiss temperature of −79 K confirming the antiferromagnetic nature. Isothermal magnetization measurements below and above the Néel temperature show no saturation, with a maximum magnetization of 0.09 μ B /f.u observed at an applied field of 9 T. The temperature dependence of resistivity exhibits a negative temperature coefficient, characteristic of dirty metals. Hall effect measurements indicate the absence of an anomalous Hall contribution. The Hall coefficient RH, carrier concentration n, and mobility μ estimated from R XY (H) are -1.05×10 -8 m 3 /C, 5.92×10 26 m -3 and 1.05×10 -3 m 2 /V.s, respectively. Our first-principles calculations indicate that YMnAl in the orthorhombic (Imma) structure has the lowest energy; however, the substitutional disorder occurring during experimental synthesis may favor the formation of the cubic Laves phase.

Crystallography↗