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DOE OSTI2025

Disorder-induced spin excitation continuum and spin-glass ground state in the inverse spinel CuGa 2 O 4

Spinel-structured compounds serve as prototypical examples of highly frustrated systems and are promising candidates for realizing the long-sought quantum spin liquid (QSL) state. However, structural disorder is inevitable in many real QSL candidates and its impact remains a topic of intense debate. In this work, we conduct comprehensive investigations on CuGa 2 ⁢ O 4 , a spinel compound with significant structural disorder, focusing on its thermodynamic properties and spectroscopic behaviors. No long-range magnetic order is observed down to ∼80 mK, as evidenced by magnetic susceptibility, specific-heat, and elastic neutron scattering measurements. More intriguingly, inelastic neutron scattering experiments reveal a broad gapless continuum of magnetic excitations around the Brillouin zone boundary, resembling the magnetic excitation spectra expected for a QSL. Nevertheless, a spin-freezing transition at 𝑇 f ≈ 0.88 K is identified from the cusp in the dc susceptibility curves, where a bifurcation between zero-field-cooling and field-cooling curves occurs. Furthermore, ac susceptibility measurements show a peak close to 𝑇 f at low frequency, which shifts to higher temperature with increasing frequency. These results show that CuGa 2 ⁢ O 4 has a spin-glass ground state, consistent with the establishment of short-range order inferred from the specific-heat measurements. Collectively, these results illustrate the crucial role of disorder in defining the excitation spectrum out of the disordered ground state. Furthermore, our findings shed light onto the broader class of 𝐴⁢𝐵 2 ⁢O 4 spinels and advance our understanding of the spin dynamics in magnetically disordered systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1984

On the dispersion in brightness of far-ultraviolet emission lines of cool giant stars

Low-resolution spectra have been obtained with the short-wavelength camera of IUE for late-type giant stars of spectral type F5 III-G8 III. These stars are believed to be in their first crossing of the H-R diagram, as inferred from their location along the blue edge of the Hertzsprung gap or their high abundance of lithium. From the earliest spectral type observed along the blue edge of the gap, the normalized C IV flux, which is indicative of 100,000 K plasma, increases to a maximum at G0 and then falls with advancing spectral type. The total range in emission measure of 100,000 K gas is an order of magnitude or more among stars making their first appearance as yellow giants and averages about 25 times higher in these stars than in other G8-K0 yellow giants, the majority of which are probably He-burning post-red giants. The observations tentatively show that transition region emission, and by inference coronal emission, increases in intensity with the growth of convection zones in late-type giants and then declines at lower surface temperatures, perhaps because of rotational spin-down and a weakening of dynamo action.

Simon, T.↗

NASA NTRS2022

HD 28109 Hosts A Trio of Transiting Neptunian Planets Including A Near-Resonant Pair, Confirmed By ASTEP From Antarctica

We report on the discovery and characterization of three planets orbiting the F8 star HD 28109, which sits comfortably in TESS ’s continuous viewing zone. The two outer planets have periods of 56 . 0067 ±0 . 0003 d and 84 . 2597 + 0 . 0010 −0 . 0008 d, which implies a period ratio very close to that of the first-order 3:2 mean motion resonance, exciting transit timing variations (TTVs) of up to 60 min. These two planets were first identified by TESS , and we identified a third planet in the TESS photometry with a period of 22 . 8911 ±0 . 0004 d. We confirm the planetary nature of all three planetary candidates using ground-based photometry from Hazelwood , ASTEP , and LCO , including a full detection of the ∼9 h transit of HD 28109 c from Antarctica. The radii of the three planets are R b = 2 . 199 + 0 . 098 −0 . 10 R ⊕, R c = 4 . 23 ±0 . 11 R ⊕, and R d = 3 . 25 ±0 . 11 R ⊕; we characterize their masses using TTVs and precise radial velocities from ESPRESSO and HARPS, and find them to be M b = 18 . 5 + 9 . 1 −7 . 6 M ⊕, M c = 7 . 9 + 4 . 2 −3 . 0 M ⊕, and M d = 5 . 7 + 2 . 7 −2 . 1 M ⊕, making planet b a dense, massive planet while c and d are both underdense. We also demonstrate that the two outer planets are ripe for atmospheric characterization using transmission spectroscopy, especially given their position in the CVZ of James Webb Space Telescope . The data obtained to date are consistent with resonant (librating) and non-resonant (circulating) solutions; additional observations will show whether the pair is actually locked in resonance or just near-resonant.

Georgina Dransfield↗

NASA NTRS2000

Detached and Floating-Zone Growth of Semiconductor Crystals on the ISS

Understanding the mechanism of detached Bridgman growth and establishing the growth of large scale germanium-silicon crystals by the float-zone technique are the key points of the project "RDGS - Reduction of Defects in Germanium-Silicon". The contact angle of the melt and the growth angle of the crystal are essential parameters which allow a controlled use of detached growth. The contact angle was determined for a variety of different substrates and melt compositions; pBN showed the highest value for pure germanium as well as for germanium-rich GeSi melts. The growth angle of Ge(sub 0.95) Si(sub 0.05) was measured to be 8.5-10.5 degrees which concurs with the values of pure germanium and silicon, respectively. The temperature dependence and the concentration dependence of the surface tension were determined for concentrations up to 10at% silicon (partial derivative (gamma)/partial derivative T=-0.08 (raised dot) 10(exp -3)N/m (raised dot) K, partial derivative (gamma)/partial derivative (C)=2.2 (raised dot) 10(exp -3)N/m (raised dot) at%). Using these values, the critical Marangoni number indicating the transition to time-dependent thermocapillary flow will be exceeded for the growth of large scale float-zone crystals onboard the ISS. Therefore, suitable tools for flow control are required.

Dold, P.↗

NASA NTRS1985

Extensional tectonics on continents and the transport of heat and matter

Intracontinental zones of extensional tectonic style are commonly of finite width and length. Associated sedimentary troughs are fault-controlled. The evolution of those structures is accompanied by volcanic activity of variable intensity. The characteristic surface structures are usually underlaid by a lower crust of the transitional type while deeper subcustal areas show delayed travel times of seismic waves especially at young tectonic provinces. A correspondence between deep-seated processes and zones of continental extension appears obvious. A sequential order of mechanisms and their importance are discussed in the light of modern data compilations and quantitative kinematic and dynamic approaches. The Cenozoic exensional tectonics related with the Rhine River are discussed.

Neugebauer, H. J.↗

DOE OSTI2021

A continuous metal-insulator transition driven by spin correlations

While Mott insulators induced by Coulomb interactions are a well-recognized class of metal-insulator transitions, insulators purely driven by spin correlations are much less common, as the reduced energy scale often invites competition from other degrees of freedom. Here, we demonstrate a clean example of a spin-correlation-driven metal-insulator transition in the all-in-all-out pyrochlore antiferromagnet Cd 2 Os 2 O 7 , where the lattice symmetry is preserved by the antiferromagnetism. After the antisymmetric linear magnetoresistance from conductive, ferromagnetic domain walls is removed experimentally, the bulk Hall coefficient reveals four Fermi surfaces of both electron and hole types, sequentially departing the Fermi level with decreasing temperature below the Néel temperature, T N = 227 K. In Cd 2 Os 2 O 7 , the charge gap of a continuous metal-insulator transition opens only at T ~ 10 K << T N . The insulating mechanism parallels the Slater picture, but without a folded Brillouin zone, and contrasts sharply with Mott insulators and spin density waves, where the electronic gap opens above and at T N , respectively.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Evidence of short chains in liquid sulfur

High energy x-ray pair distribution function measurements show the average coordination number of the first shell in liquid sulfur is 1.86 ± 0.04 across the λ-transition, not precisely 2.0 as widely accepted. This indicates that upon melting, liquid sulfur does not comprise solely of S 8 rings but also possesses a significant number of short chains. Intensities of the pre-peak and first diffraction peak of the x-ray structure factor and third peak height of the pair distribution function all show deviations at the λ-transition temperature T λ , associated with the break-up of S 8 rings and the start of oligomer polymerization. A significant number of non-bonded or loosely bonded “interstitial atoms,” with an average coordination number of 0.20 ± 0.005, are also observed in the so-called “forbidden zone” between the first and second shells upon melting. The number of interstitial atoms is found to decrease to a minimum at the λ-transition, but the majority persist into the high temperature polymerized liquid. Furthermore, the existence of short chains and nearby interstitial atoms represent the two main factors required to initiate the S 8 -ring to chain transition, as proposed by recent molecular dynamics simulations.

Chemical bonding↗

NASA NTRS1984

Recombination stellar wind model for the coronae of early-type stars

The wind structures of early-type stars which have base coronal zones are discussed. The calculations give rise to what is called a recombination stellar wind structure because of the transition from a coronally driven wind to a radiatively driven wind. The coronal X-rays are a dominant factor in determining the wind structure because of their effect on the ionization structure, which in turn determines the heating, cooling, and the attenuating properties of the stellar wind. The decreased continuum opacity allows for an increase in the emergent X-ray flux at energies less than 1 keV. The X-ray spectra are compared with those observed with the IPC instrument on the Einstein Observatory and are found to be in excellent agreement. This shows that contrary to earlier analyses, base coronae are not ruled out by the existing IPC X-ray data. The predicted emergent X-ray luminosities are in agreement with the observed values. However, the incident X-ray luminosities from the base coronal zones can be three to four orders of magnitude larger. This suggests that the X-ray IPC spectra reflect the absorption properties of the wind and not the nature of the X-ray source.

Waldron, W. L.↗

NASA NTRS1988

Navier-Stokes calculations of transonic flows past cavities

A computational investigation of subsonic and transonic flows past three dimensional deep and transitional cavities is presented. Computational simulations of these self induced oscillatory flows were generated through time accurate solutions of the Reynolds averaged full Navier-Stokes equations, using the explicit MacCormack scheme. The Reynolds stresses were included through the Baldwin-Lomax algebraic turbulence model with certain modifications. Two cases were computed to demonstrate the capability of the numerical scheme in modeling the complex three dimensional flow features inside a cavity. The results from an experimental investigation were used not only to benchmark the computations, but also to widen the database used for the discussions and conclusions. The computational results include instantaneous and time averaged flow properties everywhere in the computational zone. Time series analyses were performed for the instantaneous pressure values on the cavity floor. The features of deep and transitional cavity flows, and the effects of the sidewall on the cavity flow flowfield are illustrated through computational graphics.

Baysal, Oktay↗

NASA NTRS1989

Navier-Stokes calculations of transonic flows past cavities

A computational investigation of subsonic and transonic flows past 3-D deep transitional cavities is presented. Computational simulations of these self-induced oscillatory flows were generated through time-accurate solutions of the Reynolds averaged full Navier-Stokes equations, using the explicit MacCormack scheme. The Reynolds stresses were included through the Baldwin-Lomax algebraic turbulence model with certain modifications. Two cases were computed to demonstrate the capability of the numerical scheme in modeling the complex 3-D flow features inside a cavity. The results from an experimental investigation were used not only to benchmark the computations, but also to widen the database used for the discussions and conclusions. The computational results include instantaneous and time averaged flow properties everywhere in the computational zone. Time series analyses were performed for the instantaneous pressure values on the cavity floor. The features of deep and transitional cavity flows, and the effect of the sidewall on the cavity flow flowfield are illustrated through computational graphics.

Baysal, Oktay↗

DOE OSTI2021

A theory of localized excitations in supercooled liquids

Here, a new connection between the structure and dynamics in glass-forming liquids is presented. We show how the origin of spatially localized excitations, as defined by the dynamical facilitation (DF) theory, can be understood from a structure-based framework. This framework is constructed by associating excitation events in the DF theory to hopping events between energy minima in the potential energy landscape (PEL). By reducing the PEL to an equal energy well picture and applying a harmonic approximation, we develop a field theory to describe elastic fluctuations about inherent states, which are energy minimizing configurations of the PEL. We model an excitation as a shear transformation zone (STZ) inducing a localized pure shear deformation onto an inherent state. We connect STZs to T1 transition events that break the elastic bonds holding the local structure of an inherent state. A formula for the excitation energy barrier, denoted as J σ , is obtained as a function of inherent-state elastic moduli and the radial distribution function. The energy barrier from the current theory is compared to the one predicted by the DF theory where good agreement is found in various two-dimensional continuous poly-disperse atomistic models of glass formers. These results strengthen the role of structure and elasticity in driving glassy dynamics through the creation and relaxation of localized excitations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Capacity Expansion Planning for LA Basin: the Role of Energy Storage

The paper evaluates the deployment of energy storage to support equitable energy outcomes and the clean energy transition in the Los Angeles Basin (LAB). The deployment of energy storage is considered in a 10 zone capacity expansion planning model from 2022-2045. The model is based on the California Public Utility Commission’s 7 zone RESOLVE model but has been modified to give greater spatial granularity in the LAB area by addig 3 new zones representing the Eastern Los Angeles, Western Los Angeles and the El Nido subzones. Three different scenarios are studied in this work; a base case with no natural gas retirements in the LAB, and two cases exploring extreme natural gas retirements, where the 8GW of natural gas belonging to the LAB are retired by 2045. Study results indicate that storage can play a significant role in helping the LAB meeting its energy requirements. However, when considering extreme retirement scenarios, either new generation (such as solar) or capacity (such as new import capacity via transmission lines) will likely be needed to serve projected system loads.

Maloney, Patrick R.↗

NASA NTRS1991

Oscillation phase relations in a Bridgman system

The thermal conditions under which convection in a tin melt undergoes the transition from steady flow to time-dependent flow are investigated. Previously, it has been shown that crystals that are directionally solidified from a time-dependent melt will have a larger defect density and increased chance of compositional striations. Thus, it is important for this transition to be well characterized. The experimental results to be presented were obtained from a two-zone Bridgman furnace with a middle insulation zone. Thermocouples were placed on the axis and on the outer wall of a cylindrical vitreous silica tube which contained molten tin. The phase relations between temperature oscillations measured at different positions in the cell are discussed. Fourier transforms are used to investigate the increasing complexity of convection as the temperature gradient is increased.

Knuteson, David J.↗

NASA NTRS2001

Large-Scale Air Mass Characteristics Observed Over the Remote Tropical Pacific Ocean During March-April 1999: Results from PEM-Tropics B Field Experiment

Eighteen long-range flights over the Pacific Ocean between 38 S to 20 N and 166 E to 90 W were made by the NASA DC-8 aircraft during the NASA Pacific Exploratory Mission (PEM) Tropics B conducted from March 6 to April 18, 1999. Two lidar systems were flown on the DC-8 to remotely measure vertical profiles of ozone (O3), water vapor (H2O), aerosols, and clouds from near the surface to the upper troposphere along their flight track. In situ measurements of a wide range of gases and aerosols were made on the DC-8 for comprehensive characterization of the air and for correlation with the lidar remote measurements. The transition from northeasterly flow of Northern Hemispheric (NH) air on the northern side of the Intertropical Convergence Zone (ITCZ) to generally easterly flow of Southern Hemispheric (SH) air south of the ITCZ was accompanied by a significant decrease in O3, carbon monoxide, hydrocarbons, and aerosols and an increase in H2O. Trajectory analyses indicate that air north of the ITCZ came from Asia and/or the United States, while the air south of the ITCZ had a long residence time over the Pacific, perhaps originating over South America several weeks earlier. Air south of the South Pacific Convergence Zone (SPCZ) came rapidly from the west originating over Australia or Africa. This air had enhanced O3 and aerosols and an associated decrease in H2O. Average latitudinal and longitudinal distributions of O3 and H2O were constructed from the remote and in situ O3 and H2O data, and these distributions are compared with results from PEM-Tropics A conducted in August-October 1996. During PEM-Tropics B, low O3 air was found in the SH across the entire Pacific Basin at low latitudes. This was in strong contrast to the photochemically enhanced O3 levels found across the central and eastern Pacific low latitudes during PEM-Tropics A. Nine air mass types were identified for PEM-Tropics B based on their O3, aerosols, clouds, and potential vorticity characteristics. The data from each flight were binned by altitude according to air mass type, and these results showed the relative observational frequency of the different air masses as a function of altitude in seven regions over the Pacific. The average chemical composition of the major air mass types was determined from in situ measurements in the NH and SH, and these results provided insight into the origin, lifetime, and chemistry of the air in these regions.

Browell, Edward V.↗

NASA NTRSDate not supplied

An Observationally-Based Determination of the Arctic Sea Ice-Cloud Feedback Since 2000: Isolating the Arctic Cloud Response to Sea Ice Loss

Arctic sea ice responds to and drives Arctic climate change. The interactions between Arctic sea ice and clouds represent a mechanism through which sea ice can drive climate change. We composite active remote sensing satellite cloud properties for ice-free, marginal ice zone (MIZ), and ice-covered surfaces during MIZ crossing events to investigate the influence of the transition from an ice-covered to an ice-free surface on low-level clouds. We demonstrate that the event-based methodology controls for large-scale meteorological factors and isolates the sea ice effect on clouds. We find larger cloud fraction and total water content below ~1.5 km over ice-free relative to ice-covered surfaces during non-summer months, indicating a low-level cloud sensitivity to Arctic sea ice decline. During summer, results show larger cloud fraction and water content over ice-free surfaces, however the differences are statistically indistinguishable. Evidence is provided that atmospheric thermodynamic profile differences cause the cloud property differences, namely that ice-free footprints are warmer, moister, have more positive surface turbulent fluxes and are less stable than their ice-covered counterparts. Ice-free and ice-covered surface cloud property differences scale with surface temperature differences such that cloud property differences are only found in the presence of a surface temperature difference. We conclude that surface temperature differences modulate the cloud response to sea ice loss through influences on surface turbulent fluxes and lower tropospheric stability. The results imply a positive non-summer sea ice-cloud feedback and that up to a 0.02 cloud fraction and 0.05 g m 3 total water content increase in fall are due to the observed sea ice decline.

Patrick C Taylor↗

NASA NTRSDate not supplied

Estimating the Arctic Cloud-Sea Ice Feedback With Observations during the EOS Period

Patrick C. Taylor↗

DOE OSTI2020

River Dynamics Control Transit Time Distributions and Biogeochemical Reactions in a Dam-Regulated River Corridor

Residence Time Distributions (RTDs) exert an important control on biogeochemical translation in the hydrological systems. Previous tracer studies have revealed that RTDs often followed time-invariant exponential, lognormal, or heavy-tailed RTDs that have power-law behavior for long tails in headwater or low-order streams. However, there is a recognition that RTDs can be more complicated and time-variable in response to dynamic hydrological forcing. Here, we use particle tracking to estimate RTDs along the Hanford Reach of the Columbia River and to quantify the influences of river stage fluctuations. Particle tracking is conducted using the velocity field from high-resolution 3D groundwater flow simulations. The effects of hydrological forcing on the residence time distribution were evaluated by varying river flow boundary conditions and releasing particles in different time windows. Our results revealed that dynamic stage fluctuations created rapidly changing losing-gaining conditions in the river and led to highly transient RTDs, which contributes to multiple modes of RTDs. Dam-induced high-frequency (sub-daily) flow variation contributes to the short-time (sub-daily) component of the RTDs. Deviation of the reactant consumption under the single-mode assumption compared to the multimodal RTDs is relatively small (~5%) and appears when the Damköhler number was close to one.More specifically, high-frequency (daily) dam-induced stage variations have higher impacts on biogeochemical reactions with faster reaction rate, and can potentially increase the reactant consumption by 26.68%. Based on these findings, we suggest that current river basin models could be improved by including bank storage and more complex RTDs influenced by both short and long term river stage fluctuations.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1992

Large shield volcanos on Venus: The effect of neutral buoyancy zone development on evolution and altitude distribution

The Magellan mission to Venus has emphasized the importance of volcanism in shaping the surface of the planet. Volcanic plains make up 80 percent of the terrain and hundreds of regions of localized eruptions have been identified. Large volcanos, defined as edifices with diameters greater than 100 km, are the sites of some of the most voluminous eruptions. Head et al. have identified 158 of these structures. Their spatial distribution is neither random nor arranged in linear chains as on the Earth; large volcanos on Venus are concentrated in two large, near-equatorial clusters that are also the site of many other forms of volcanic activity. The set of conditions that must be met on Venus that controls the change from widespread, distributed volcanism to focused, shield-building volcanism is not well understood. Future studies of transitional features will help to address this problem. It is likely, however, that the formation and evolution of a neutral buoyancy zone (NBZ) plays an important role in both determining the style of the volcanism and the development of the volcanic feature once it has begun to erupt. Head and Wilson have suggested that the high surface pressure on Venus may inhibit volatile exsolution, which may influence the density distribution of the upper crust and hence control the nature and location of a NBZ. The extreme variations in pressure with elevation may result in significantly different characteristics of such a NBZ at different locations on the planet. In order to test these ideas regarding the importance of NBZ development in the evolution of a large shield and to determine the style of volcanism, three large volcanos that occur at different basal elevations were examined and the distribution of large volcanos as a function of altitude was determined.

Keddie, S.↗