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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Quantum information and quantum simulation of neutrino physics

In extreme astrophysical environments such as core-collapse supernovae and binary neutron star mergers, neutrinos play a major role in driving various dynamical and microphysical phenomena, such as baryonic matter outflows, the synthesis of heavy elements, and the supernova explosion mechanism itself. The interactions of neutrinos with matter in these environments are flavor-specific, which makes it of paramount importance to understand the flavor evolution of neutrinos. Flavor evolution in these environments can be a highly nontrivial problem thanks to a multitude of collective effects in flavor space, arising due to neutrino-neutrino ($v$-$v$) interactions in regions with high neutrino densities. A neutrino ensemble undergoing flavor oscillations under the influence of significant $v$-$v$ interactions is somewhat analogous to a system of coupled spins with long-range interactions among themselves and with an external field (‘long-range’ in momentum-space in the case of neutrinos). As a result, it becomes pertinent to consider whether these interactions can give rise to significant quantum correlations among the interacting neutrinos, and whether these correlations have any consequences for the flavor evolution of the ensemble. In particular, one may seek to utilize concepts and tools from quantum information science and quantum computing to deepen our understanding of these phenomena. In this article, we attempt to summarize recent work in this field. In conclusion, we also present some new results in a three-flavor setting, considering complex initial states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Ab initio prediction of an order-disorder transition in Mg 2 Ge O 4 : Implication for the nature of super-Earth's mantles

Here we present an ab initio prediction of an order-disorder transition (ODT) from a I¯42d-type to Th 3 P 4 -type phase in the cation sublattices of Mg 2 GeO 4 , a post-post-perovskite phase. This uncommon type of prediction is achieved by carrying out a high-throughput sampling of atomic configurations in a 56-atom supercell followed by a Boltzmann ensemble statistics calculation. Mg 2 GeO 4 is a low-pressure analog of I¯42d-type Mg 2 SiO 4 , a predicted major planet-forming phase of super-Earths' mantles. Therefore, a similar ODT is anticipated in I¯42d-type Mg 2 SiO 4 as well, which should impact the internal structure and dynamics of these planets. Furthermore, the prediction of this Th 3 P 4 -type phase in Mg 2 GeO 4 further enhances the relationship between the crystal structures of Earth/planet-forming silicates and oxides at extreme pressures and those of rare-earth sesquisulfides at low pressures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Optimizing Seasonal‐To‐Decadal Analog Forecasts With a Learned Spatially‐Weighted Mask

Abstract Seasonal‐to‐decadal climate prediction is crucial for decision‐making in a number of industries, but forecasts on these timescales have limited skill. Here, we develop a data‐driven method for selecting optimal analogs for seasonal‐to‐decadal analog forecasting. Using an interpretable neural network, we learn a spatially‐weighted mask that quantifies how important each grid point is for determining whether two climate states will evolve similarly. We show that analogs selected using this weighted mask provide more skillful forecasts than analogs that are selected using traditional spatially‐uniform methods. This method is tested on two prediction problems using the Max Planck Institute for Meteorology Grand Ensemble: multi‐year prediction of North Atlantic sea surface temperatures, and seasonal prediction of El Niño Southern Oscillation. This work demonstrates a methodical approach to selecting analogs that may be useful for improving seasonal‐to‐decadal forecasts and understanding their sources of skill.

Geology↗
NASA NTRS2021

Evaluating the Large-Scale Hydrological Cycle Response within the Pliocene Model Intercomparison Project Phase 2 (PlioMIP2) Ensemble

The mid-Pliocene (∼3 Ma) is one of the most recent warm periods with high CO2 concentrations in the atmosphere and resulting high temperatures, and it is often cited as an analog for near-term future climate change. Here, we apply a moisture budget analysis to investigate the response of the large-scale hydrological cycle at low latitudes within a 13-model ensemble from the Pliocene Model Intercomparison Project Phase 2 (PlioMIP2). The results show that increased atmospheric moisture content within the mid-Pliocene ensemble (due to the thermodynamic effect) results in wetter conditions over the deep tropics, i.e., the Pacific intertropical convergence zone (ITCZ) and the Maritime Continent, and drier conditions over the subtropics. Note that the dynamic effect plays a more important role than the thermodynamic effect in regional precipitation minus evaporation (PmE) changes (i.e., northward ITCZ shift and wetter northern Indian Ocean). The thermodynamic effect is offset to some extent by a dynamic effect involving a northward shift of the Hadley circulation that dries the deep tropics and moistens the subtropics in the Northern Hemisphere (i.e., the subtropical Pacific). From the perspective of Earth's energy budget, the enhanced southward cross-equatorial atmospheric transport (0.22 PW), induced by the hemispheric asymmetries of the atmospheric energy, favors an approximately 1∘ northward shift of the ITCZ. The shift of the ITCZ reorganizes atmospheric circulation, favoring a northward shift of the Hadley circulation. In addition, the Walker circulation consistently shifts westward within PlioMIP2 models, leading to wetter conditions over the northern Indian Ocean. The PlioMIP2 ensemble highlights that an imbalance of interhemispheric atmospheric energy during the mid-Pliocene could have led to changes in the dynamic effect, offsetting the thermodynamic effect and, hence, altering mid-Pliocene hydroclimate.

mid-Pliocene↗
NASA NTRS2006

Granular Contact Forces: Proof of "Self-Ergodicity" by Generalizing Boltzmann's Stosszahlansatz and H Theorem

Ergodicity is proved for granular contact forces. To obtain this proof from first principles, this paper generalizes Boltzmann's stosszahlansatz (molecular chaos) so that it maintains the necessary correlations and symmetries of granular packing ensembles. Then it formally counts granular contact force states and thereby defines the proper analog of Boltzmann's H functional. This functional is used to prove that (essentially) all static granular packings must exist at maximum entropy with respect to their contact forces. Therefore, the propagation of granular contact forces through a packing is a truly ergodic process in the Boltzmannian sense, or better, it is self-ergodic. Self-ergodicity refers to the non-dynamic, internal relationships that exist between the layer-by-layer and column-by-column subspaces contained within the phase space locus of any particular granular packing microstate. The generalized H Theorem also produces a recursion equation that may be solved numerically to obtain the density of single particle states and hence the distribution of granular contact forces corresponding to the condition of self-ergodicity. The predictions of the theory are overwhelmingly validated by comparison to empirical data from discrete element modeling.

Metzger, Philip T.↗
DOE OSTI2022

Holographic Kolmogorov-Sinai entropy and the quantum Lyapunov spectrum

In classical chaotic systems the entropy, averaged over initial phase space distributions, follows a universal behavior. While approaching thermal equilibrium it passes through a stage where it grows linearly, while the growth rate, the Kolmogorov-Sinai entropy (rate), is given by the sum over all positive Lyapunov exponents. A natural question is whether a similar relation is valid for quantum systems. We argue that the Maldacena-Shenker-Stanford bound on quantum Lyapunov exponents implies that the upper bound on the growth rate of the entropy, averaged over states in Hilbert space that evolve towards a thermal state with temperature T, should be given by πT times the thermal state’s von Neumann entropy. Strongly coupled, large N theories with black hole duals should saturate the bound. To test this we study a large number of isotropization processes of random, spatially homogeneous, far from equilibrium initial states in large N, $\mathcal{N}$ = 4 Super Yang Mills theory at strong coupling and compute the ensemble averaged growth rate of the dual black hole’s apparent horizon area. We find both an analogous behavior as in classical chaotic systems and numerical evidence that the conjectured bound on averaged entropy growth is saturated granted that the Lyapunov exponents are degenerate and given by λ i = ±2πT. This fits to the behavior of classical systems with plus/minus symmetric Lyapunov spectra, a symmetry which implies the validity of Liouville’s theorem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Drop Interactions with the Conical Shock Structure Generated by a Mach 4.5 Projectile

This work presents measurements of liquid drop deformation and breakup time behind approximately conical shock waves and evaluates the predictive capabilities of low-order models and correlations developed using planar shock experiments. A conical shock was approximated by firing a bullet at Mach 4.5 past a vertical column of water drops with a mean initial diameter of $192$ $\mu$m. The time-resolved drop position and maximum transverse dimension were characterized using backlit stereo images taken at 500 kHz. The gas density and velocity fields experienced by the drops were estimated using a Reynolds-averaged Navier–Stokes simulation of the bullet. Classical correlations predict drop breakup times and deformation in error by a factor of 3 or more. The Taylor analogy breakup (TAB) model predicts deformed drop diameters that agree within the confidence bounds of the ensemble-averaged experimental values using a dimensionless constant $C$ 2 = $2$ compared to the accepted value $C$ 2 = $2/3$. In conclusion, results demonstrate existing correlations are inadequate for predicting the drop response to the three-dimensional relaxation of the flowfield downstream of a conical-like shock and suggest the TAB model results represent a path toward improved predictions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Microscopic entropy of AdS3 black holes revisited

A bstract We revisit the microscopic description of AdS 3 black holes in light of recent progress on their higher dimensional analogues. The grand canonical partition function that follows from the AdS 3 /CFT 2 correspondence describes BPS and nearBPS black hole thermodynamics. We formulate an entropy extremization principle that accounts for both the black hole entropy and a constraint on its charges, in close analogy with asymptotically AdS black holes in higher dimensions. We are led to interpret supersymmetric black holes as ensembles of BPS microstates satisfying a charge constraint that is not respected by individual states. This interpretation provides a microscopic understanding of the hitherto mysterious charge constraints satisfied by all BPS black holes in AdS. We also develop thermodynamics and a nAttractor mechanism of AdS 3 black holes in the nearBPS regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Explicit environmental and vibronic effects in simulations of linear and nonlinear optical spectroscopy

Accurately simulating the linear and nonlinear electronic spectra of condensed phase systems and accounting for all physical phenomena contributing to spectral line shapes presents a significant challenge. Vibronic transitions can be captured through a harmonic model generated from the normal modes of a chromophore, but it is challenging to also include the effects of specific chromophore–environment interactions within such a model. We work to overcome this limitation by combining approaches to account for both explicit environment interactions and vibronic couplings for simulating both linear and nonlinear optical spectra. We present and show results for three approaches of varying computational cost for combining ensemble sampling of chromophore–environment configurations with Franck–Condon line shapes for simulating linear spectra. We present two analogous approaches for nonlinear spectra. Simulated absorption spectra and two-dimensional electronic spectra (2DES) are presented for the Nile red chromophore in different solvent environments. Furthermore, employing an average Franck–Condon or 2DES line shape appears to be a promising method for simulating linear and nonlinear spectroscopy for a chromophore in the condensed phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Measurement-induced multipartite-entanglement regimes in collective spin systems

We study the competing effects of collective generalized measurements and interaction-induced scrambling in the dynamics of an ensemble of spin-1/2 particles at the level of quantum trajectories. This setup can be considered as analogous to the one leading to measurement-induced transitions in quantum circuits. We show that the interplay between collective unitary dynamics and measurements leads to three regimes of the average Quantum Fisher Information (QFI), which is a witness of multipartite entanglement, as a function of the monitoring strength. While both weak and strong measurements lead to extensive QFI density (i.e., individual quantum trajectories yield states displaying Heisenberg scaling), an intermediate regime of classical-like states emerges for all system sizes where the measurement effectively competes with the scrambling dynamics and precludes the development of quantum correlations, leading to sub-Heisenberg-limited states. We characterize these regimes and the crossovers between them using numerical and analytical tools, and discuss the connections between our findings, entanglement phases in monitored many-body systems, and the quantum-to-classical transition.

Physics↗
DOE OSTI2025

Early events in G-quadruplex folding captured by time-resolved small-angle X-ray scattering

Abstract Time-resolved small-angle X-ray experiments are reported here that capture and quantify a previously unknown rapid collapse of the unfolded oligonucleotide as an early step in the folding of hybrid 1 and hybrid 2 telomeric G-quadruplex structures. The rapid collapse, initiated by a pH jump, is characterized by an exponential decrease in the radius of gyration from 24.3 to 12.6 Å. The collapse is monophasic and is complete in <600 ms. Additional hand-mixing pH-jump kinetic studies show that slower kinetic steps follow the collapse. The folded and unfolded states at equilibrium were further characterized by SAXS studies and other biophysical tools, showing that G4 unfolding was complete at alkaline pH, but not in LiCl solution as is often claimed. The SAXS Ensemble Optimization Method analysis reveals models of the unfolded state as a dynamic ensemble of flexible oligonucleotide chains with a variety of transient hairpin structures. These results suggest a G4 folding pathway in which a rapid collapse, analogous to molten globule formation seen in proteins, is followed by a confined conformational search within the collapsed particle to form the native contacts ultimately found in the stable folded form.

Biochemistry & Molecular Biology↗
DOE OSTI2021

Assessing Prior Emergent Constraints on Surface Albedo Feedback in CMIP6

An emergent constraint (EC) is a popular model evaluation technique, which offers the potential to reduce intermodel variability in projections of climate change. Two examples have previously been laid out for future surface albedo feedbacks (SAF) stemming from loss of Northern Hemisphere (NH) snow cover (SAF snow ) and sea ice (SAF ice ). These processes also have a modern-day analog that occurs each year as snow and sea ice retreat from their seasonal maxima, which is strongly correlated with future SAF across an ensemble of climate models. The newly released CMIP6 ensemble offers the chance to test prior constraints through out-of-sample verification, an important examination of EC robustness. Here, we show that the SAF snow EC is equally strong in CMIP6 as it was in past generations, while the SAF ice EC is also shown to exist in CMIP6, but with different, slightly weaker characteristics. We find that the CMIP6 mean NH SAF exhibits a global feedback of 0.25 ± 0.05 W m -2 K -1 , or ~61% of the total global albedo feedback, largely in line with prior generations despite its increased climate sensitivity. Additionally, the NH SAF can be broken down into similar contributions from snow and sea ice over the twenty-first century in CMIP6. Crucially, intermodel variability in seasonal SAF snow and SAF ice is largely unchanged from CMIP5 because of poor outlier simulations of snow cover, surface albedo, and sea ice thickness. These outliers act to mask the noted improvement from many models when it comes to SAF ice , and to a lesser extent SAF snow .

58 GEOSCIENCES↗
NASA NTRS2003

A Microphysically-based Approach to Inferring Porosity, Grain Size, and Dust Abundance in the Seasonal Caps from Atmospherically-corrected TES Spectra

One of the highlights of the TES observations in the polar regions has been the identification of a "cryptic" region in the south where CO2 appears to be in the form of a solid slab rather than a fluffy frost. While the exact mechanism(s) by which the cryptic region is formed are still subject of some debate, it appears certain that a type of rapid metamorphism related to the high volatility of CO2 ice is involved. The high volatility of CO2 ice under martian conditions has several Solar System analogs (N2 on Triton and Pluto, SO2 on Io), thus making the martian cryptic region somewhat less cryptic and certainly non-unique among planetary objects. In an endmember scenario, both the formation and the spectral properties of the cryptic region (and of other areas in the seasonal caps) can be quantitatively modeled by considering sintering of an ensemble of quasi-spherical CO2 grains. This model includes the special case of instanteneous slab formation, which occurs when the grains are sufficiently small (in the submicron range) so that their sintering timescale is short relative to the deposition timescale (a situation analogous to the "sintering" of water droplets falling into a pond).

Eluszkiewicz, J.↗
DOE OSTI2020

Polaritons and excitons: Hamiltonian design for enhanced coherence

The primary questions motivating this report are: Are there ways to increase coherence and delocalization of excitation among many molecules at moderate electronic coupling strength? Coherent delocalization of excitation in disordered molecular systems is studied using numerical calculations. The results are relevant to molecular excitons, polaritons, and make connections to classical phase oscillator synchronization. In particular, it is hypothesized that it is not only the magnitude of electronic coupling relative to the standard deviation of energetic disorder that decides the limits of coherence, but that the structure of the Hamiltonian—connections between sites (or molecules) made by electronic coupling—is a significant design parameter. Inspired by synchronization phenomena in analogous systems of phase oscillators, some properties of graphs that define the structure of different Hamiltonian matrices are explored. The report focuses on eigenvalues and ensemble density matrices of various structured, random matrices. Some reasons for the special delocalization properties and robustness of polaritons in the single-excitation subspace (the star graph) are discussed. The key result of this report is that, for some classes of Hamiltonian matrix structure, coherent delocalization is not easily defeated by energy disorder, even when the electronic coupling is small compared to disorder.

Science & Technology - Other Topics↗
DOE OSTI2023

Validation of LOCA2 and STAR-ESDM Statistically Downscaled Products

The National Climate Assessment (NCA) is the preeminent national report examining current and future risks posed by climate change. Countless agencies, policymakers, stakeholders and other end-users rely upon guidance from the NCA to plan for an uncertain future. These groups all depend on modern curated data, provided alongside the NCA, to quantify the impact of climate change on metrics of relevance for their decision processes. In its fifth iteration (NCA5), two statistically downscaled ensemble products, each providing data at grid spacing of approximately 5km over the contiguous United States, were selected to accompany the report. These include LOCalized Analogs version 2 (LOCA2) and Seasonal Trends and Analysis of Residuals Empirical-Statistical Downscaling Model (STAR-ESDM). Both data products are produced through a process known as statistical downscaling, where relatively coarse Global Climate Model (GCM) data is refined to locally relevant scales through the application of scientifically-supported empirical and algorithmic relationships. In support of the NCA effort, this report provides an independent validation of these two products against historical observations, with a focus on precipitation and near-surface temperature variables. Based on the results of this validation, several recommendations are provided related to the use of these data products. The structure of this report is as follows: In section 2, we review three gridded observational products that are used as part of our intercomparison. In section 3, we describe the two statistical downscaling techniques and their corresponding datasets that are the focus of this study. In section 4, the methodology we employ for validation is described. Section 5 provides results of the validation, which in turn motivate our recommendations on the use of these data products. A brief summary is provided in section 6.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Downscaled CMIP5 projections of physical fire risk understate historical trends

Reliable projections of wildfire risk are important for multi-sector impacts analysis. Statistically downscaled and bias-corrected Earth system model ensemble products are routinely used to analyze regional physical wildfire risk, but evaluations of historical observed trends and variability are lacking. Here, we evaluate physical fire risk over the western United States using the Canadian Forest Fire Weather Index (FWI) by comparing model outputs from the Coupled Model Intercomparison Project Phase 5 (CMIP5), statistically downscaled via the Multivariate Adaptive Constructed Analogs (MACA) approach, against the observational target dataset gridMET, a gridded high-resolution surface meteorological product. We analyze multidecadal trends and interannual variability in seasonal average FWI for the historical period and future projections under two emissions scenarios, and we compare MACA-CMIP5 ensemble results with a simple time series model that generates historical and future projections of seasonal FWI based on bootstrapping observed historical trends and variability. Our findings indicate that MACA-CMIP5 accurately captures the magnitude and spatial patterns of seasonally averaged FWI but tends to underestimate historical decadal trends. We show that future increases in fire risk may be underestimated relative to the simple time series model that projects historical variability into the future. We also highlight that model biases in relative humidity contribute significantly to model-data differences. Our results underscore the importance of historical hindcasting exercises for informing broader multi-sector applications.

FWI↗
DOE OSTI2025

Wormholes with ends of the world

We study classical wormhole solutions in 3D gravity with end-of-the-world (EOW) branes, conical defects, kinks, and punctures. These solutions compute statistical averages of an ensemble of boundary conformal field theories (BCFTs) related to universal asymptotics of OPE data extracted from the 2D conformal bootstrap. Conical defects connect BCFT bulk operators; branes join BCFT boundary intervals with identical boundary conditions; kinks (1D defects along branes) link BCFT boundary operators; and punctures (0D defects) are endpoints where conical defects terminate on branes. We provide evidence for a correspondence between the gravity theory and the ensemble. In particular, the agreement of the g-function dependence results from an underlying topological aspect of the on-shell EOW brane action, from which a BCFT analog of the Schlenker-Witten theorem also follows.

AdS-CFT Correspondence↗
DOE OSTI2024

Polariton creation in coupled cavity arrays with spectrally disordered emitters

Abstract Integrated photonics has been a promising platform for analog quantum simulation of condensed matter phenomena in strongly correlated systems. To that end, we explore the implementation of all-photonic quantum simulators in coupled cavity arrays with integrated ensembles of spectrally disordered emitters. Our model is reflective of color center ensembles integrated into photonic crystal cavity arrays. Using the Quantum Master equation and the Effective Hamiltonian approaches, we study energy band formation and wavefunction properties in the open quantum Tavis–Cummings–Hubbard framework. We find conditions for polariton creation and (de)localization under experimentally relevant values of disorder in emitter frequencies, cavity resonance frequencies, and emitter-cavity coupling rates. To quantify these properties, we introduce two metrics, the polaritonic and nodal participation ratios, that characterize the light-matter hybridization and the node delocalization of the wavefunction, respectively. These new metrics combined with the Effective Hamiltonian approach prove to be a powerful toolbox for cavity quantum electrodynamical engineering of solid-state systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗