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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Intrinsic ferromagnetism and restrictive thermodynamic stability in MA$_{2}$N$_{4}$ and Janus VSiGeN$_{4}$ monolayers

The seminal experimental discovery of the remarkably stable MoSi 2 N 4 monolayer has led to a handful of predicted magnetic two-dimensional (2D) materials in the MA 2 Z 4 family (M = transition metals, A = Si, Ge, and Z = N, P, As). These magnetic monolayers were predicted to be dynamically stable, but none of them has been synthesized to date. In this Research Letter, from first-principles thermodynamic stability analysis, we demonstrate that only the nitrides are thermodynamically stable and this occurs under N-rich conditions. Based on this finding, we propose two ferromagnetic, semiconducting Janus monolayers in the family: VSiGeN 4 and VSiSnN 4 . They are both dynamically and thermally stable, but only the former is thermodynamically stable. Intriguingly, Janus VSiGeN 4 and VSiSnN 4 monolayers show weak in-plane anisotropy compared with the VSi 2 N 4 monolayer. Furthermore, these two emerging Janus magnetic semiconductors offer opportunities for studying 2D magnetism and spin control for spintronics applications.

2-dimensional systems↗
DOE OSTI2025

Synthesis and Characterization of Metastable Cobalt Honeycomb KCoAsO 4

The Kitaev model has served as a long-sought-after target in the realization of a quantum spin liquid that could host Majorana Fermions. Such non-Abelian anyons could revolutionize quantum computing if properly implemented to overcome decoherence. A 3d 7 electronic configuration, like Co 2+ , has been explored by theory and experimental work to design Kitaev materials. Here, in this study, we report the synthesis of a new cobaltate honeycomb material KCoAsO 4 . The compound is synthesized through a low-temperature solution route and crystallized in space group R¯3 with lattice parameters a = 5.0394(1) and c = 28.6790(1) as determined by neutron powder diffraction. The crystal structure follows motifs similar to those of the honeycomb compound BaCo2(AsO 4 ) 2 but presents differing magnetic behavior. Magnetization/heat capacity measurements on the powder show antiferromagnetic transition T N = 14 K. Two lower-temperature transitions are present in susceptibility at low field that resemble spin reorientations. Magnetization data as a function of field have curvature indicative of metamagnetic behavior below the magnetic ordering temperature, with the magnetic ordering suppressed upon application of a higher magnetic field. Computational studies suggest the presence of a weak nearest-neighbor Kitaev term, K 1 , consistent with related honeycomb cobaltates. Together, the data suggest that this material should present a new platform for developing Kitaev quantum spin liquids.

cobaltate↗
DOE OSTI2021

Beyond the Anderson rule: importance of interfacial dipole and hybridization in van der Waals heterostructures

Vertical stacking of two-dimensional materials with weak van der Waals (vdW) interactions has laid the ground for breakthroughs in physics as well as in technological applications. Although vdW interactions dominate interlayer binding, interlayer electronic coupling may not be negligible and can lead to properties beyond the superposition of constituent monolayers. Here, studying heterobilayers of transition-metal dichalcogenides (MQ 2 ; M = Mo, Ni, Pt; Q = S, Se) by means of density functional theory calculations, we show two mechanisms that influence the band gaps of vdW heterostructures beyond the Anderson rule: (1) interfacial hybridization (mainly involving out-of-plane states, such as chalcogen p z -states), which leads to an upshift in the valence band maxima and accordingly a decrease in the band gap. (2) Formation of an interfacial electric dipole, resulting in an effective gap increase in type-II junctions. While the former is material specific, depending on the proximity of p z -states to each other and the valence band maxima, the latter can be generally described using a model based on the charge density decay outside the monolayers and the pristine band edge positions with respect to the vacuum level, irrespective of junction type.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Low-temperature domain-wall freezing and nonequilibrium dynamics in the transverse-field Ising model material CoNb 2 O 6

CoNb 2 O 6 is a rare realization of the transverse-field Ising model, making it a useful tool for studying both equilibrium and nonequilibrium many-body quantum physics. Despite a large body of work dedicated to characterizing this material, details of the ordered states in the presence of relatively weak transverse fields have not been discussed in detail. Here, we present a detailed study of CoNb 2 O 6 via ac susceptibility measurements in order to further characterize its low-temperature behavior in the presence of a transverse field. Specifically, we call attention to an unconventional freezing transition in zero field below T F = 1.2 K, occurring within the well-known commensurate antiferromagnetic (CAFM) state that onsets at T N2 = 1.9 K. We performed a series of transverse-field quenches into this frozen state, which resulted in a slowly relaxing susceptibility, χ' (t), that followed a logarithmic decay within the time range measured. Additionally, we discuss the frozen state in the context of the freezing of previously discussed “free” chains arising from domain walls between the four degenerate sublattices of the CAFM state. We also attempted to observe Kibble-Zurek scaling by quenching the transverse field into the frozen state at different rates. This produced a null result; the behavior can be fully explained by coarsening of domains over the time scale of the quenches. The absence of a clear Kibble-Zurek scaling is itself surprising, given the proposed ubiquity of the phenomenon for general second-order phase transitions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1988

Design of low Reynolds number airfoils. II

Low Reynolds number airfoils were designed for high lift-to-drag ratios. Design considerations of low Re-airfoils are discussed and design examples are presented. It is shown that the performance of advance low Reynolds airfoils critically depends on proper laminar separation and transition control for the minimum profile drag coefficient with minimum turbulator device drag. This transition control close to the laminar separation is possible by enforcing transition on the upper surface either directly by means of spanwise rows of three-dimensional roughness elements, bleed or suction holes, or indirectly by means of destabilizing the upper surface boundary layer by means of backward facing surface steps, two-dimensional or zig-zag tapes or weak boundary layer blowing. Pneumatic turbulators are found to be advantageous because they can be adjusted to different external flow conditions better than mechanical ones.

Pfenninger, W.↗
NASA NTRS2018

Gravitational Potential and Non-relativistic Lagrangian in Modified Gravity with Varying G

We have recently shown that the baryonic Tully-Fisher (BTF) and Faber-Jackson (BFJ) relations imply that the gravitational "constant" G in the force law vary with acceleration alpha as 1/alpha . Here we derive the converse from first principles. First we obtain the gravitational potential for all accelerations and we formulate the Lagrangian for the central-force problem. Then action minimization implies the BTF/BFJ relations in the deep MOND limit as well as weak-field Weyl gravity in the Newtonian limit. The results show how we can properly formulate a nonrelativistic conformal theory of modified dynamics that reduces to MOND in its low-acceleration limit and to Weyl gravity in the opposite limit. An unavoidable conclusion is that alpha-0 , the transitional acceleration in modified dynamics, does not have a cosmological origin and it may not even be constant among galaxies and galaxy clusters.

Christodoulou, Dimitris M.↗
DOE OSTI2025

Quantum chromodynamics resolution of the ATOMKI anomaly in 4 He nuclear transitions

Observations of anomalous angular correlations in electron-positron pairs produced from excited states of 4 He, 8 Be, and 12 C nuclei have been suggested as being due to the creation and subsequent decay of a new light particle of mass ~17MeV. In this work, we investigate the possibility that the source of the observed signals is a set of new excitation channels created by the 12-quark hidden-color Fock state within the 4 He nuclear wave function dubbed the “hexadiquark.” We calculate the invariant e + ⁢ e - mass spectrum for the electromagnetic transition from a new excitation of 4 He, estimating its differential and total decay width. We find that we can fit the shape of the anomalous signal with the QCD Fock state at excitation energy E* = 17.9 ± 1MeV and a Gaussian form factor for the electromagnetic decay. We address the physical issues with the fit parameters using properties of the hexadiquark state, in particular the three weakly repulsive 6 C interactions of SU⁡(3) C between diquark pairs. Experimental tests of our model are described in detail. In light of this work, we emphasize the need for independent experimental confirmation or refutation of the ATOMKI results as well as dedicated experiments to search for the proposed new excitations of 4 He and other a-cluster nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Stratosphere-Troposphere Coupling of Extreme Stratospheric Wave Activity in CMIP6 Models

Extreme stratospheric wave activity has been suggested to be connected to surface temperature anomalies, but some key processes are not well understood. Using observations, we show that the stratospheric events featuring weaker-than-normal wave activity are associated with increased North American (NA) cold extreme risks before and near the event onset, accompanied by less frequent atmospheric river (AR) events on the west coast of the United States. Strong stratospheric wave events, on the other hand, exhibit a tropospheric weather regime transition. Further, they are preceded by NA warm anomalies and increased AR frequency over the west coast, followed by increased risks of NA cold extremes and north-shifted ARs over the Atlantic. Moreover, these links between the stratosphere and troposphere are attributed to the vertical structure of wave coupling. Weak wave events show a wave structure of westward tilt with increasing altitudes, while strong wave events feature a shift from westward tilt to eastward tilt during their life cycle. This wave phase shift indicates vertical wave coupling and likely regional planetary wave reflection. Further examinations of CMIP6 models show that models with a degraded representation of stratospheric wave structure exhibit biases in the troposphere during strong wave events. Specifically, models with a stratospheric ridge weaker than the reanalysis exhibit a weaker tropospheric signal. Our findings suggest that the vertical coupling of extreme stratospheric wave activity should be evaluated in the model representation of stratosphere-troposphere coupling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Charge density waves and pinning by lattice anisotropy in 214 cuprates

The detection of static charge density waves (CDWs) in La 2-x ⁢Sr x ⁢CuO 4 (LSCO) with x ~ 0.12 at relatively high temperatures has raised the question of what lattice feature pins the CDWs. Some recent structural studies have concluded that some form of monoclinic distortion, indicated by the appearance of certain weak Bragg peaks (type M peaks) at otherwise forbidden positions, are responsible for CDW pinning. Here, as a test of this idea, we present neutron diffraction results for a single crystal of La 2-x ⁢Ba x CuO 4 (LBCO) with x = 1/8, which is known to undergo two structural transitions on cooling, from high-temperature tetragonal (HTT) to low-temperature orthorhombic (LTO) near 240 K, involving a collective tilt pattern of the corner-sharing CuO 6 octahedra, and from LTO to low-temperature tetragonal (LTT) near 56 K, involving a new tilt pattern and the appearance of intensity at peaks of type T. We observe both type M and type T peaks in the LTT phase, while the type M peaks (but not type T) are still present in the LTO phase. Given that CDW order is observed only in the LTT phase of LBCO, it is apparent that the in-plane Cu-O bond anisotropy associated with the octahedral tilt pattern is responsible for charge pinning. We point out that evidence for a similar, but weaker, bond anisotropy has been observed previously in LSCO and should be responsible for CDW pinning there. In the case of LBCO, the monoclinic distortion may help to explain previously reported magneto-optical evidence for gyrotropic order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2015

High-Resolution Mesoscale Model Setup for the Eastern Range and Wallops Flight Facility

Mesoscale weather conditions can have an adverse effect on space launch, landing, ground processing, and weather advisories, watches, and warnings at the Eastern Range (ER) in Florida and Wallops Flight Facility (WFF) in Virginia. During summer, land-sea interactions across Kennedy Space Center (KSC) and Cape Canaveral Air Force Station (CCAFS) lead to sea breeze front formation, which can spawn deep convection that can hinder operations and endanger personnel and resources. Many other weak locally-driven low-level boundaries and their interactions with the sea breeze front and each other can also initiate deep convection in the KSC/CCAFS area. These convective processes often last 60 minutes or less and pose a significant challenge to the local forecasters. Surface winds during the transition seasons (spring and fall) pose the most difficulties for the forecasters at WFF. They also encounter problems forecasting convective activity and temperature during those seasons. Therefore, accurate mesoscale model forecasts are needed to better forecast a variety of unique weather phenomena. Global and national scale models cannot properly resolve important local-scale weather features at each location due to their horizontal resolutions being much too coarse. Therefore, a properly tuned local data assimilation (DA) and forecast model at a high resolution is needed to provide improved capability. To accomplish this, a number of sensitivity tests were performed using the Weather Research and Forecasting (WRF) model in order to determine the best DA/model configuration for operational use at each of the space launch ranges to best predict winds, precipitation, and temperature. A set of Perl scripts to run the Gridpoint Statistical Interpolation (GSI)/WRF in real-time were provided by NASA's Short-term Prediction Research and Transition Center (SPoRT). The GSI can analyze many types of observational data including satellite, radar, and conventional data. The GSI/WRF scripts use a cycled GSI system similar to the operational North American Mesoscale (NAM) model. The scripts run a 12-hour pre-cycle in which data are assimilated from 12 hours prior up to the model initialization time. A number of different model configurations were tested for both the ER and WFF by varying the horizontal resolution on which the data assimilation was done. Three different grid configurations were run for the ER and two configurations were run for WFF for archive cases from 27 Aug 2013 through 10 Nov 2013. To quantify model performance, standard model output will be compared to the Meteorological Assimilation Data Ingest System (MADIS) data. The MADIS observation data will be compared to the WRF forecasts using the Model Evaluation Tools (MET) verification package. In addition, the National Centers for Environmental Prediction's Stage IV precipitation data will be used to validate the WRF precipitation forecasts. The author will summarize the relative skill of the various WRF configurations and how each configuration behaves relative to the others, as well as determine the best model configuration for each space launch range.

Watson, Leela R.↗
NASA NTRS2025

Large Impact Features on Ganymede and Callisto as Revealed By Geological Mapping and Morphometry

The icy Galilean satellites are host to a broad range of impact feature morphologies. Hypotheses seeking to explain the diversity of these impact features consider the effects of impact melt, the physical state of the subsurface at the time of impact, and the impactor characteristics. As part of a larger effort to assess the role of these factors in the formation and evolution of these impact features, we have performed topographic and geological mapping of 19 large impact features on Ganymede and Callisto. These are divided into two main morphological groups: craters (subdivided into pit, dome, and anomalous dome craters), and penepalimpsests/palimpsests. The transitions from pit, dome, to anomalous dome craters appear to be size-dependent up to diameters of ∼170 km. The morphologies of pit and dome craters appear to be independent of their age or geologic context. The impacts that formed them only affected a cold, rigid ice layer, with the development of pits and raised annuli on their floors possibly stemming from the evolution of a pocket of impact melt. The subdued rims and floors of anomalous dome craters indicate the increasing effect of a weak, warm ice layer on impact feature morphology with increasing size, but their prominent annuli and pits indicate that mobilization of impact melt is also a factor. The very low topographic relief of older penepalimpsests and palimpsests indicates that their impacts penetrated the ice shell to mobilize very large volumes of pre-existing liquid from a subsurface layer, with little contribution to the final feature morphology from impact melt. Penepalimpsests are distinguished from palimpsests by the higher frequency of concentric ridges within their interiors, indicating a generally more robust state of the subsurface that could better support the rotation and uplift of solid material during impact, even if a crater-like depression could not be supported. A few impact features seem to be transitional between anomalous dome craters and penepalimpsests, and the overlap of anomalous dome craters, penepalimpsests, and palimpsests in terms of diameter as well as age indicates that impactor size and subsurface properties over time are major factors in determining which of these morphologies emerges.

Oliver L White↗
DOE OSTI2020

Spin-coupling topology in the copper hexamer compounds A 2 Cu 3 O(SO 4 ) 3 ( A =Na, K)

The compounds A 2 Cu 3 O(SO 4 ) 3 (A=Na,K) are characterized by copper hexamers that are weakly coupled to realize antiferromagnetic order below TN≈3K. They constitute quantum spin systems with S=1 triplet ground states. In this work, we investigated the energy-level splittings of the copper hexamers by inelastic neutron scattering experiments covering the entire range of the magnetic excitation spectra. Additionally, the observed transitions are governed by very unusual selection rules that we ascribe to the underlying spin-coupling topology. This is rationalized by model calculations that allow an unambiguous interpretation of the magnetic excitations concerning both the peak assignments and the nature of the spin-coupling parameters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Lyapunov exponent as a signature of dissipative many-body quantum chaos

A distinct feature of Hermitian quantum chaotic dynamics is the exponential increase of certain out-of-time-order correlation (OTOC) functions around the Ehrenfest time with a rate given by a Lyapunov exponent. Physically, the OTOCs describe the growth of quantum uncertainty that crucially depends on the nature of the quantum motion. Here, we employ the OTOC in order to provide a precise definition of dissipative quantum chaos. For this purpose, we compute analytically the Lyapunov exponent for the vectorized formulation of the large- q limit of a q -body Sachdev-Ye-Kitaev model coupled to a Markovian bath. These analytic results are confirmed by an explicit numerical calculation of the Lyapunov exponent for several values of q ≥ 4 based on the solutions of the Schwinger-Dyson and Bethe-Salpeter equations. We show that the Lyapunov exponent decreases monotonically as the coupling to the bath increases and eventually becomes negative at a critical value of the coupling signaling a transition to a dynamics which is no longer quantum chaotic. Therefore, a positive Lyapunov exponent is a defining feature of dissipative many-body quantum chaos. The observation of the breaking of the exponential growth for sufficiently strong coupling suggests that dissipative quantum chaos may require in certain cases a sufficiently weak coupling to the environment. Published by the American Physical Society 2024

García-García, Antonio M.↗
DOE OSTI2024

Capability for time-resolved diffraction for material phase in extreme conditions (Q2 FY24 Report)

After a series of development experiments, a new x-ray diffraction diagnostic called FIDDLE (Flexible Imaging Diffraction Diagnostic for Laser Experiments) has been designed, built, and fielded on four shots at NIF. Here we document the initial performance of FIDDLE fielded as the detector in the time-resolved x-ray diffraction experimental platform. Early challenges with EMP have been documented using offline testing in the Target Diagnostics Factory to identify EMP leaks. These techniques were used to guide the application of shielding to weak spots where EM radiation was able to penetrate inside the diagnostic. Application of shielding was found to be effective at reducing EMP leaks, enabling detection of x-ray diffraction on three temporally separated frames during a high pressure (~1Mbar) experiment where lead (Pb) was observed to undergo a phase transition from HCP to BCC.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Nematic Fluctuations in the Non-Superconducting Iron Pnictide BaFe 1.9-x Ni 0.1 Cr x As 2

The main driven force of the electronic nematic phase in iron-based superconductors is still under debate. Here, we report a comprehensive study on the nematic fluctuations in a non-superconducting iron pnictide system BaFe 1.9-x Ni 0.1 Cr x As 2 by electronic transport, angle-resolved photoemission spectroscopy (ARPES), and inelastic neutron scattering (INS) measurements. Previous neutron diffraction and transport measurements suggested that the collinear antiferromagnetism persists to x = 0.8, with similar Néel temperature TN and structural transition temperature Ts around 32 K, but the charge carriers change from electron type to hole type around x = 0.5. In this study, we have found that the in-plane resistivity anisotropy also highly depends on the Cr dopings and the type of charge carriers. While ARPES measurements suggest possibly weak orbital anisotropy onset near Ts for both x = 0.05 and x = 0.5 compounds, INS experiments reveal clearly different onset temperatures of low-energy spin excitation anisotropy, which is likely related to the energy scale of spin nematicity. These results suggest that the interplay between the local spins on Fe atoms and the itinerant electrons on Fermi surfaces is crucial to the nematic fluctuations of iron pnictides, where the orbital degree of freedom may behave differently from the spin degree of freedom, and the transport properties are intimately related to the spin dynamics.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Application of the Schwinger multichannel formulation to electron-impact excitation of the B 1Sigma(+)u state of H2

The paper reports cross sections for electron-impact excitation of the X 1Sigma(+)g - BISigma(+)u transition in H2 for collision energies of 15, 20, and 30 eV. For this dipole-allowed transition with its associated long-range potential, the contributions of the more strongly scattered low-angular-momentum partial waves to the cross section were obtained from a two-state Schwinger multichannel calculation, and a modified Born-closure scheme was used to include the contributions from the remaining weakly scattered partial waves. Agreement between the calculated differential cross sections and available experimental data is encouraging.

Gibson, Thomas L.↗
NASA NTRS1991

The finite-amplitude behavior of the Joule mode under astrophysical conditions

Magnetized astrophysical plasmas reveal a great deal of structure when spatially resolved. One possible explanation for this structuring is based on the existence of filamenting instabilities driven by radiation. In this paper, previous linear calculations are extended by considering the weakly nonlinear (finite-amplitude) development of such filamenting instabilities in magnetized unstratified plasmas. It is shown that under most conditions these instabilities (in particular, the Jouse model) are unstable at finite amplitude; in particular, in the temperature and plasma-beta domains characteristic of, for example, much of the solar transition region, these modes - which can be linearly stable under these conditions - become unstable to finite-amplitude perturbations. The relevance of this to the problem of heating the solar low transition region by current dissipation is discussed.

Bodo, G.↗
NASA NTRS1992

Robotic lunar exploration using the Pegasus winged rocket and ballistic lunar capture - An update

The present concept for robotic lunar missions combines Pegasus-launched small vehicles with the weak-stability boundary (WSB) or 'ballistic capture' trajectory suggested by Belbruno (1991). The existence of the earth's WSB, as a result of a distance from the sun of about 1.5 million km, yields a transfer that is analogous to the parabolic case but in which the earth-to-moon transit time is only 3-5 months. The WSB technique has been demonstrated by the Japanase Hiten spacecraft, which reached the lunar vicinity after 5 months in transit.

Belbruno, Edward A.↗