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DOE OSTI2024

Dartmouth Theory Group: The Physics of the Universe

1. What were the major goals of the project? Under this project, the senior investigator Robert Caldwell (PI) conducted research that addresses outstanding problems in cosmology. This project built on the PI’s ongoing research program in dark energy and cosmic acceleration, cosmology as a probe of fundamental physics, and new gravitational phenomena. Other faculty conducting research under this project were: Stephon Alexander, Marcelo Gleiser, and Devin Walker. Specific results have included predictions of new physics that informs and helps guide Cosmic Frontier observational probes of dark energy, dark matter, and CMB probes pursuing B-mode polarization. 2. What was accomplished under these goals? The project accomplished the primary goals: to extend the state of knowledge of dark energy, inflation, and the phases of the early Universe; to identify new observations and measurements that may help identify the underlying physics of the cosmos; to develop new analysis techniques that enhance the value of exist

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Dynamics of Aqueous Electrolyte Solutions: Challenges for Simulations

This Perspective article focuses on recent simulation work on the dynamics of aqueous electrolytes. It is well-established that full-charge, nonpolarizable models for water and ions generally predict solution dynamics that are too slow in comparison to experiments. Models with reduced (scaled) charges do better for solution diffusivities and viscosities but encounter issues describing other dynamic phenomena such as nucleation rates of crystals from solution. Polarizable models show promise, especially when appropriately parametrized, but may still miss important physical effects such as charge transfer. First-principles calculations are starting to emerge for these properties that are in principle able to capture polarization, charge transfer, and chemical transformations in solution. Finally, while direct ab initio simulations are still too slow for simulations of large systems over long time scales, machine-learning models trained on appropriate first-principles data show significant promise for accurate and transferable modeling of electrolyte solution dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1984

Magnetopause merging site asymmetries

Regions where a draped model magnetosheath magnetic field is nearly antiparallel to a model geomagnetic field are shown to be asymmetric for an interplanetary magnetic field (IMF) at the garden hose angle, as suggested by Heelis. When the IMF has a southward component, the asymmetry favors the dawn region for both IMF polarities. The dusk region is favored when the IMF has a northward component. If the regions of antiparallel fields are assumed to be sites of maximum magnetic merging, then the asymmetry is consistent with observed seasonal variations of geomagnetic activity and with dawn-displaced magnetospheric phenomena. In the alternate merging geometry of a line passing through the subsolar region, the asymmetry is predominantly north-south rather than dawn-dusk. Merging line geometry is consistent with the seasonal variations but not with the dawn-displaced phenomena.

Crooker, N. U.↗

NASA NTRS1985

Magnetopause merging site asymmetries

Crooker, N. U.↗

NASA NTRS2023

Hybrid-Vlasov Simulation of Soft X-Ray Emissions at the Earth’S Dayside Magnetospheric Boundaries

Solar wind charge exchange produces emissions in the soft X-ray energy range which can enable the study of near-Earth space regions such as the magnetopause, the magnetosheath and the polar cusps by remote sensing techniques. The Solar wind–Magnetosphere–Ionosphere Link Explorer (SMILE) and Lunar Environment heliospheric X-ray Imager (LEXI) missions aim to obtain soft X-ray images of near-Earth space thanks to their Soft X-ray Imager (SXI) instruments. While earlier modeling works have already simulated soft X-ray images as might be obtained by SMILE SXI during its mission, the numerical models used so far are all based on the magnetohydrodynamics description of the space plasma. To investigate the possible signatures of ion-kinetic-scale processes in soft X-ray images, we use for the first time a global hybrid-Vlasov simulation of the geospace from the Vlasiator model. The simulation is driven by fast and tenuous solar wind conditions and purely southward interplanetary magnetic field. We first produce global X-ray images of the dayside near-Earth space by placing a virtual imaging satellite at two different locations, providing meridional and equatorial views. We then analyze regional features present in the images and show that they correspond to signatures in soft X-ray emissions of mirror mode wave structures in the magnetosheath and flux transfer events (FTEs) at the magnetopause. Our results suggest that, although the time scales associated with the motion of those transient phenomena will likely be significantly smaller than the integration time of the SMILE and LEXI imagers, mirror-mode structures and FTEs can cumulatively produce detectable signatures in the soft X-ray images. For instance, a local increase by 30% in the proton density at the dayside magnetopause resulting from the transit of multiple FTEs leads to a 12% enhancement in the line-of-sight- and time integrated soft X-ray emissivity originating from this region. Likewise, a proton density increase by 14% in the magnetosheath associated with mirror-mode structures can result in an enhancement in the soft X-ray signal by 4%. These are likely conservative estimates, given that the solar wind conditions used in the Vlasiator run can be expected to generate weaker soft X-ray emissions than the more common denser solar wind. These results will contribute to the preparatory work for the SMILE and LEXI missions by providing the community with quantitative estimates of the effects of small-scale, transient phenomena occurring on the dayside.

magnetosphere↗

DOE OSTI2024

Terahertz electric-field-driven dynamical multiferroicity in SrTiO 3

The emergence of collective order in matter is among the most fundamental and intriguing phenomena in physics. In recent years, the dynamical control and creation of novel ordered states of matter not accessible in thermodynamic equilibrium is receiving much attention. The theoretical concept of dynamical multiferroicity has been introduced to describe the emergence of magnetization due to time-dependent electric polarization in non-ferromagnetic materials. In simple terms, the coherent rotating motion of the ions in a crystal induces a magnetic moment along the axis of rotation. Here we provide experimental evidence of room-temperature magnetization in the archetypal paraelectric perovskite SrTiO 3 due to this mechanism. We resonantly drive the infrared-active soft phonon mode with an intense circularly polarized terahertz electric field and detect the time-resolved magneto-optical Kerr effect. A simple model, which includes two coupled nonlinear oscillators whose forces and couplings are derived with ab initio calculations using self-consistent phonon theory at a finite temperature, reproduces qualitatively our experimental observations. A quantitatively correct magnitude was obtained for the effect by also considering the phonon analogue of the reciprocal of the Einstein–de Haas effect, which is also called the Barnett effect, in which the total angular momentum from the phonon order is transferred to the electronic one. Our findings show a new path for the control of magnetism, for example, for ultrafast magnetic switches, by coherently controlling the lattice vibrations with light.

36 MATERIALS SCIENCE↗

NASA NTRS1984

Dependence of the polar cap geometry on the IMF

The geometry of the open field line region in the polar region is computed for a variety of the interplanetary magnetic field (IMF) orientation. The open field line region can be identified as the area bounded by the auroral oval, namely the polar cap. The polar cap geometry varies considerably with the orientation of the IMF and magnitude, particularly when the IMF Bz component is positive and large. The corresponding exit points of the open field lines on the magnetopause are also examined. The results are useful in interpreting various upper atmospheric phenomena in the highest latitude region of the earth and also in observing chemical releases outside the magnetopause.

Akasofu, S.-I.↗

NASA NTRS1992

C-band measurement of radar backscatter from the ocean surface during SWADE

A preliminary analysis of backscatter measurements collected during the joint NASA/ONR Surface Wave Dynamics Experiment (SWADE) by a C-band scatterometer (C-SCAT) is presented. Data were collected during a total of ten flights on board the NASA/Ames C-130B off the coast of Virginia. These backscatter measurements are vertically polarized, and were obtained over a full 360* in azimuth, at incidence angles ranging from 20 to 50 . The data set is now in a state where it can provide a unique test bed for normalized radar cross section (NRCS) model functions because of the variety of phenomena encountered, and the quantity and quality of the measurements.

Carson, S. C.↗

DOE OSTI2025

The influence of V-defects, leakage, and random alloy fluctuations on the carrier transport in red InGaN MQW LEDs

Red InGaN-based light-emitting diodes (LEDs) exhibit lower internal quantum efficiencies than violet, blue, and green InGaN LEDs due to a reduction in radiative recombination rates relative to non-radiative recombination rates as the Indium composition increases. Additionally, the larger polarization and band offset barriers between high indium content InGaN quantum wells and GaN quantum barriers increase the forward voltage. In blue and green LEDs, random alloy fluctuations and V-defects play a key role in reducing the forward voltage. When V-defects are present, either naturally or intentionally introduced, they create an alternative path for carrier injection into the MQWs through the V-defect sidewalls. This injection mechanism explains the turn-on voltages of green LEDs. However, in InGaN red LEDs, these two phenomena do not reduce the forward voltage as effectively as in blue and green LEDs, and consequently, the computed forward voltage remains significantly higher than the measured one. Furthermore, currents are observed at low voltages before the turn-on voltage (V<ℏω/e=2.0 V) of red LEDs. To address this, we introduce dislocation-induced tail states in the modeling, suggesting that leakage current through these states may play a significant role both below and at turn-on voltages. The simulation also indicates that leakage carriers below turn-on accumulate, partially diffuse in the QWs, screen the polarization-induced barrier in the low injection regime, and further reduce the forward voltage. Despite these beneficial effects, a drawback of dislocation-induced tail states is the enhanced nonradiative recombination in the dislocation line region. This study provides a detailed analysis of device injection physics in InGaN QW red LEDs and outlines potential optimization strategies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Floquet engineering of tilted and gapped Dirac bandstructure in 1T$$^\prime$$-MoS$$_2$$

Abstract We have developed a rigorous theoretical formalism for Floquet engineering, investigating, and subsequently tailoring most crucial electronic properties of 1T $$^\prime$$ ′ -MoS $$_2$$ 2 by applying an external high-frequency dressing field within the off-resonance regime. It was recently demonstrated that monolayer semiconducting 1T $$^\prime$$ ′ -MoS $$_2$$ 2 exhibits tunable and gapped spin- and valley-polarized tilted Dirac bands. The electron-photon dressed states depend strongly on the polarization of the applied irradiation and reflect a full complexity of the low-energy Hamiltonian for non-irradiated material. We have calculated and analyzed the properties of the electron dressed states corresponding to linear and circular polarization of a dressing field by focusing on their symmetry, anisotropy, tilting, direct and indirect band gaps. Circularly polarized dressing field is known for transition into a new electronic state with broken time-reversal symmetry and a non-zero Chern number, and therefore, the combination of these topologically non-trivial phases and transitions between them could reveal some truly unique and previously unknown phenomena and applications. We have also computed and discussed the density of states for various types of 1T $$^\prime$$ ′ -MoS $$_2$$ 2 materials and its modification in the presence of a dressing field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Isostructural electronic transition in MoS 2 probed by solid-state high-harmonic generation spectroscopy

Studying materials under extreme pressure in diamond anvil cells (DACs) is key to discovering emergent states of matter, yet no method currently allows the direct measurement of the electronic structure in this environment. Solid-state high-harmonic generation (sHHG) offers a unique all-optical window into the electronic structure of materials. We demonstrate sHHG spectroscopy inside a DAC by probing 2H-MoS 2 , up to 30 GPa, revealing a pressure-induced crossover of the lowest direct bandgap from the K-point to the Γ-point. This transition manifests as a sharp minimum in harmonic intensity and a 30° rotation of the sHHG polarization anisotropy, despite the absence of a structural phase change. First-principles simulations attribute these features to interference between competing excitation pathways at distinct points in the Brillouin zone. Our results establish sHHG as a sensitive probe of electronic transitions at high pressure, enabling access to quantum phenomena that evade detection by conventional techniques.

Nebgen, Bailey R. [University of California, Berke↗

NASA NTRS1986

Formation and support of prominence

A short introduction is given to the concepts discussed by the group on the formation and support of prominences. Only quiescent and long-lived active region prominences were considered, since transient prominence phenomena, such as sprays, surges, H alpha flare-loops, and coronal rain, are dynamically distinct from long-lived, prominences. Stable prominences (which are often referred to as filaments when seen against the disk) can be subdivided into three categories, namely active region prominences, quiescent prominences and polar crown prominences. The third category is closely related to the second since a quiescent prominence will eventually evolve into a polar crown prominence if it lasts long enough. The distinction between the first and second categories is not sharp either since intermediates exist here as well (Martin, 1973).

Forbes, T. G.↗

NASA NTRSDate not supplied

GeoNEX-SUBSETS: Geostationary Satellite Observations Over International Observing Network Sites

Satellite remote sensing is crucial for monitoring the Earth’s surface and for simulating global carbon and water cycles. Subsets of satellite data from sensors such as MODIS over established observing networks have been valuable for researchers for comparing the ground observed phenomena with satellite observations. Here, we introduce new subsets of the GeoNEX geostationary satellite datasets over locations of several ground observation networks. The NASA Earth Exchange group has been generating geostationary satellite products with our international partners and universities to cover the entire globe. In comparison to polar-orbiting satellite sensors such as MODIS, the new generation geostationary satellites observe target areas at a higher frequency (5-10 minutes), which also significantly increased the data volume. To reduce the burden of downloading and extracting geostationary time series data and provide easy access to the community, we provide subsets of GeoNEX products through our data portal [www.data.nas.nasa.gov]. The ready-to-use subset follows the same format as the MODIS fixed sites subset tools for users who are familiar with MODIS subset data and software. The selected networks include Fluxnet, AERONET, and Phenocam over the conterminous US. We demonstrate the usage of the GeoNEX fixed-site subset data and showcase thir advantages with three example studies. The first example is simulating the diurnal cycle of plant ecophysiology at Fluxnet sites. The high frequency of the GeoNEX time series allows us to run ecological models at sub-hour time steps and directly compare the simulated carbon and water fluxes with half-hourly Fluxnet data. The second example uses the geostationary data to track phenological changes. It highlights the high-frequent observations of geostationary satellites in helping mask cloud covers and capture the quick responses of vegetation to environmental changes. As such, these examples demonstrate the value of ready-to-use GeoNEX subsets data in terrestrial ecophysiology research.

GeoNEX↗

DOE OSTI2025

Understanding LIB Battery Electrodes Through Classical Electrochemical Interface Theory

Classical models of the electrochemical interface can be applied to complex and dynamic electrodes to understand important mechanisms that are relevant to device-level phenomena like calendar aging or cycle life. Here, we show that negative alloy electrodes with wide electrochemical windows cannot be assumed to have static interfaces throughout all states of charge. Under high states of charge, the interface -including the solid electrolyte interphase - has characteristics that resemble a highly polarized electrode far from the point of zero charge. Under these conditions, the interface can be understood through the Helmholtz model. At lower states of charge, the interface capacitance decreases and the space charge layer length increases. This transformation resembles a metal electrode approaching the point of zero charge which is understood through the Gouy-Chapman-Stern-Grahame model of the electrochemical interface. This transformation happens at both silicon and carbon-coated silicon interfaces. From voltage-limited cycling experiments, in the limit of the diffuse double layer, the silicon electrode impedance rises significantly in the first few cycles. This rise is related to the continuous electrochemical reduction of electrolyte components from an interface that is not electronically screened from the electrolyte. In other words, an electrode interface for batteries should resemble a 'Helmholtz-like' structure.

anode↗

DOE OSTI2024

3D Ferroelectric Phase Field Simulations of Polycrystalline Multi‐Phase Hafnia and Zirconia Based Ultra‐Thin Films

Abstract HfO 2 – and ZrO 2 –based ferroelectric thin films have emerged as promising candidates for the gate oxides of next‐generation electronic devices. Recent work has experimentally demonstrated that a tetragonal/orthorhombic (t/o‐) phase mixture with partially in‐plane polarization can lead to negative capacitance (NC) stabilization. However, there is a discrepancy between experiments and the theoretical understanding of domain formation and domain wall motion in these multi‐phase, polycrystalline materials. Furthermore, the effect of anisotropic domain wall coupling on NC has not been studied so far. Here, 3D phase field simulations of HfO 2 – and ZrO 2 –based mixed‐phase ultra‐thin films on silicon are applied to understand the necessary and beneficial conditions for NC stabilization. It is found that smaller ferroelectric grains and a larger angle of the polar axis with respect to the out‐of‐plane direction enhances the NC effect. Furthermore, it is shown that theoretically predicted negative domain wall coupling even along only one axis prevents NC stabilization. Therefore, it is concluded that topological domain walls play a critical role in experimentally observed NC phenomena in HfO 2 – and ZrO 2 –based ferroelectrics.

30 DIRECT ENERGY CONVERSION↗

NASA NTRS1976

Radar imaging of ocean surface patterns

The paper presents some examples of imaging radar oceanographic observations and discusses physical phenomena on the surface that may cause the radar image. The different ocean scattering theories are briefly discussed, including the tangent plane model, the Bragg-Rice model, and the Rayleigh scattering model. All but one of the images presented were obtained with an L-band HH-polarized radar; they include deep-ocean swells, coastal swells, wave refractions, internal waves, ship wakes, abrupt transitions in open-ocean surface roughness, surface slicks, island wind shadowing, and currents. Analyses are shown to suggest that the primary source of the L-band imagery of ocean surface patterns is the variation of small-scale surface roughness and local tilt angle. It is also noted that surface irregularities behave as isotropic scatterers for a radar wavelength of 25 cm.

Brown, W. E., Jr.↗

NASA NTRS1984

Plasma and magnetospheric research

Methods employed in the analysis of plasmas and the magnetosphere are examined. Computer programs which generate distribution functions are used in the analysis of charging phenomena and non maxwell plasmas in terms of density and average energy. An analytical model for spin curve analysis is presented. A program for the analysis of the differential ion flux probe on the space shuttle mission is complete. Satellite data analysis for ion heating, plasma flows in the polar cap, polar wind flow, and density and temperature profiles for several plasmasphere transits are included.

Comfort, R. H.↗

NASA NTRS1985

Investigation of vehicle glow in the far ultraviolet

To data, all vehicle glow observations have been conducted in the visible and near infrared wavelength regions. As the Space Telescope's wavelength coverage extends to the far ultraviolet range and current plasma theory of the spacecraft glow phenomena predicts bright glow intensities, a study of the ram glow effects in the 800-1400 angstrom region was undertaken. The data were collected between March 21-28, 1979, from 600 km altitude near local midnight by the University of California, Berkeley's extreme ultraviolet spectrometer on board the polar orbiting STP78-1 satellite. Data from several nighttime orbits obtained outside the South Atlantic Anomaly region and within + or - 30 deg magnetic latitude range were separated into forward (south viewing) and backward (north viewing) bins. Each of these binds was subdivided into three directional categories: (1) up (zenith angles 30-80 deg), (2) side (zenith angles 80-100 deg), and (3) down (zenith angles 120-150 deg). The maximum ram glow effects are expected in the side viewing directions. Our data include possible effects of ram glow signatures in the 800-1400 angstrom wavelength region.

Chakrabarti, S.↗