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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A phase-field model for quasi-dynamic nucleation, growth, and propagation of rate-and-state faults

Despite its critical role in the study of earthquake processes, numerical simulation of the entire stages of fault rupture remains a formidable task. The main challenges in simulating a fault rupture process include the complex evolution of fault geometry, frictional contact, and off-fault damage over a wide range of spatial and temporal scales. Here, in this paper, we develop a phase-field model for quasi-dynamic fault nucleation, growth, and propagation, which features two standout advantages: (i) it does not require any sophisticated algorithms to represent fault geometry and its evolution; and (ii) it allows for modeling fault nucleation, propagation, and off-fault damage processes with a single formulation. Built on a recently developed phase-field framework for shear fractures with frictional contact, the proposed formulation incorporates rate- and state-dependent friction, radiation damping, and their impacts on fault mechanics and off-fault damage. We show that the numerical results of the phase-field model are consistent with those obtained from well-verified approaches that model the fault as a surface of discontinuity, without suffering from the mesh convergence issue in the existing continuous approaches to fault rupture (e.g., the stress glut method). Further, through numerical examples of fault propagation in various settings, we demonstrate that the phase-field approach may open new opportunities for investigating complex earthquake processes that have remained overly challenging for the existing numerical methods.

58 GEOSCIENCES↗
DOE OSTI2024

A Comprehensive Stress Drop Map From Trench to Depth in the Northern Chilean Subduction Zone

We compute stress drops for earthquakes in Northern Chile recorded between 2007 and 2021. By applying two analysis techniques, (a) the spectral ratio (SR) method and (b) the spectral decomposition (SDC) method, a stress drop map for the subduction zone consisting of 51,510 stress drop values is produced. We build an extended set of empirical Green’s functions (EGF) for the SR method by systematic template matching. Outputs are used to compare with results from the SDC approach, where we apply cell-wise obtained global EGF's to compensate for the structural heterogeneity of the subduction zone. We find a good consistency of results of the two methods. The increased spatial coverage and quantity of stress drop estimates from the SDC method facilitate a consistent stress drop mapping of the different seismotectonic domains. Albeit only small differences of median stress drop, strike-perpendicular depth sections clearly reveal systematic variations, with earthquakes at different seismotectonic locations exhibiting distinct values. In particular, interface seismicity is characterized by the lowest observed median value, whereas upper plate earthquakes show noticeably higher stress drop values. Intermediate depth earthquakes show comparatively high average stress drop and a rather strong depth-dependent increase of median stress drop. Additionally, we observe spatio-temporal variability of stress drops related to the occurrence of the two megathrust earthquakes in the study region. The presented study is the first coherent large scale 3D stress drop mapping of the Northern Chilean subduction zone. It provides an important component for further detailed analysis of the physics of earthquake ruptures.

58 GEOSCIENCES↗
DOE OSTI2021

Nanoscale lattice dynamics in hexagonal boron nitride moiré superlattices

Twisted two-dimensional van der Waals (vdW) heterostructures have unlocked a new means for manipulating the properties of quantum materials. The resulting mesoscopic moiré superlattices are accessible to a wide variety of scanning probes. To date, spatially-resolved techniques have prioritized electronic structure visualization, with lattice response experiments only in their infancy. Here, we therefore investigate lattice dynamics in twisted layers of hexagonal boron nitride (hBN), formed by a minute twist angle between two hBN monolayers assembled on a graphite substrate. Nano-infrared (nano-IR) spectroscopy reveals systematic variations of the in-plane optical phonon frequencies amongst the triangular domains and domain walls in the hBN moiré superlattices. Our first-principles calculations unveil a local and stacking-dependent interaction with the underlying graphite, prompting symmetry-breaking between the otherwise identical neighboring moiré domains of twisted hBN.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Momentum conservation in current drive and alpha-channeling-mediated rotation drive

Alpha channeling uses waves to extract hot ash from a fusion plasma, transferring energy from the ash to the wave. It has been proposed that this process could create a radial electric field, efficiently driving E × B rotation. However, existing theories ignore the nonresonant particles, which play a critical role in enforcing momentum conservation in quasilinear theory. Because cross field charge transport and momentum conservation are fundamentally linked, this non-consistency throws the rotation drive into question. This paper has two main goals. First, we provide a pedantic and cohesive introduction to the recently developed simple, general, self-consistent quasilinear theory for electrostatic waves that explains the torques which allow for current drive parallel to the magnetic field, and charge extraction across it; a theory that has largely resolved the question of rotation drive by alpha channeling. We show how the theory reveals a fundamental difference between the reaction of nonresonant particles to plane waves that grow in time vs steady-state waves that have a nonuniform spatial structure, allowing rotation drive in the latter case while precluding it in the former, and we review the local and global conservation laws that lead to this result. Second, we provide two new results in support of the theory. First, we provide a novel two-particle Hamiltonian model that rigorously establishes the relationship between charge transport and momentum conservation. Second, we compare the new quasilinear theory to the oscillation-center theories of ponderomotive forces, showing how the latter often obscure the time-dependent nonresonant recoil, but ultimately lead to similar results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Growth instabilities shape morphology and genetic diversity of microbial colonies

Abstract Cellular populations assume an incredible variety of shapes ranging from circular molds to irregular tumors. While we understand many of the mechanisms responsible for these spatial patterns, little is known about how the shape of a population influences its ecology and evolution. Here, we investigate this relationship in the context of microbial colonies grown on hard agar plates. This a well-studied system that exhibits a transition from smooth circular disks to more irregular and rugged shapes as either the nutrient concentration or cellular motility is decreased. Starting from a mechanistic model of colony growth, we identify two dimensionless quantities that determine how morphology and genetic diversity of the population depend on the model parameters. Our simulations further reveal that population dynamics cannot be accurately described by the commonly-used surface growth models. Instead, one has to explicitly account for the emergent growth instabilities and demographic fluctuations. Overall, our work links together environmental conditions, colony morphology, and evolution. This link is essential for a rational design of concrete, biophysical perturbations to steer evolution in the desired direction.

Golden, Alexander↗
DOE OSTI2022

Development of a 127 Xe calibration source for nEXO

Here, we study a possible calibration technique for the nEXO experiment using a 127 Xe electron capture source. nEXO is a next-generation search for neutrinoless double beta decay (0νββ) that will use a 5-tonne, monolithic liquid xenon time projection chamber (TPC). The xenon, used both as source and detection medium, will be enriched to 90% in 136 Xe. To optimize the event reconstruction and energy resolution, calibrations are needed to map the position- and time-dependent detector response. The 36.3 day half-life of 127 Xe and its small Q-value compared to that of 136 Xe 0νββ would allow a small activity to be maintained continuously in the detector during normal operations without introducing additional backgrounds, thereby enabling in-situ calibration and monitoring of the detector response. In this work we describe a process for producing the source and preliminary experimental tests. We then use simulations to project the precision with which such a source could calibrate spatial corrections to the light and charge response of the nEXO TPC.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

The first Hubble diagram and cosmological constraints using superluminous supernovae

In this work, we present the first Hubble diagram of superluminous supernovae (SLSNe) out to a redshift of two, together with constraints on the matter density, Ω M , and the dark energy equation-of-state parameter, w(≡p/ρ). We build a sample of 20 cosmologically useful SLSNe I based on light curve and spectroscopy quality cuts. We confirm the robustness of the peak–decline SLSN I standardization relation with a larger data set and improved fitting techniques than previous works. We then solve the SLSN model based on the above standardization via minimization of the χ2 computed from a covariance matrix that includes statistical and systematic uncertainties. For a spatially flat Λ cold dark matter (ΛCDM) cosmological model, we find $\Omega _{\rm M}=0.38^{+0.24}_{-0.19}$, with an rms of 0.27 mag for the residuals of the distance moduli. For a w 0 w a CDM cosmological model, the addition of SLSNe I to a ‘baseline’ measurement consisting of Planck temperature together with Type Ia supernovae, results in a small improvement in the constraints of w 0 and wa of 4 per cent. We present simulations of future surveys with 868 and 492 SLSNe I (depending on the configuration used) and show that such a sample can deliver cosmological constraints in a flat ΛCDM model with the same precision (considering only statistical uncertainties) as current surveys that use Type Ia supernovae, while providing a factor of 2–3 improvement in the precision of the constraints on the time variation of dark energy, w 0 and w a . This paper represents the proof of concept for superluminous supernova cosmology, and demonstrates they can provide an independent test of cosmology in the high-redshift (z > 1) universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Shape-induced superstructure formation in concentrated ferrofluids under applied magnetic fields

The field-induced ordering of concentrated ferrofluids based on spherical and cuboidal maghemite nanoparticles is studied using small-angle neutron scattering, revealing a qualitative effect of the faceted shape on the interparticle interactions as shown in the structure factor and correlation lengths. Whereas a spatially disordered hard-sphere interaction potential with a short correlation length is found for ~9 nm spherical nanoparticles, nanocubes of a comparable particle size exhibit a more pronounced interparticle interaction and the formation of linear arrangements. Analysis of the anisotropic two-dimensional pair distance correlation function gives insight into the real-space arrangement of the nanoparticles. On the basis of the short interparticle distances found here, oriented attachment, i.e. a face-to-face arrangement of the nanocubes, is likely. The unusual field dependence of the interparticle correlations suggests a field-induced structural rearrangement.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Reconstructing f ( T ) gravity and exploring the torsion driven warm inflationary cosmology

The current paper reports an investigation of a warm inflationary scenario in the context of f(T) gravity for a spatially flat FLRW universe. In our model, inflation is driven purely by the torsional sector of f(T) gravity, without introducing any additional scalar fields. We focus on the high dissipative regime (R >> 1), reconstruct the Hubble parameter as a function of the e-folding number N, and derive the slow-roll parameters ε 1 (N) and ε 2 (N). The study has encapsulated the dynamics of inflation and its duration under strong dissipation. The dissipative coefficient Γ is modeled with a temperature-dependent power-law form, linking the inflationary dynamics to thermal corrections and the particle content of the early universe. The analysis has affirmed that the torsion-induced energy density ρ T successfully transitions to radiation energy density ρ rad , facilitating a graceful exit from inflation. Finally, we have validated our model by comparing the scalar spectral index and tensor-to-scalar ratio with Planck 2018 results, demonstrating consistency within observational bounds. Additionally, it is verified that the thermal domination condition T * /H > 1 and the torsion dominance condition ρ T /ρ rad > 1 are satisfied.

Ghosh, Moli [Amity University, Kolkata (India); Mr↗
DOE OSTI2021

Testing the reliability of interpretable neural networks in geoscience using the Madden–Julian oscillation

Abstract. We test the reliability of two neural network interpretation techniques, backward optimization and layerwise relevance propagation, within geoscientific applications by applying them to a commonly studied geophysical phenomenon, the Madden–Julian oscillation. The Madden–Julian oscillation is a multi-scale pattern within the tropical atmosphere that has been extensively studied over the past decades, which makes it an ideal test case to ensure the interpretability methods can recover the current state of knowledge regarding its spatial structure. The neural networks can, indeed, reproduce the current state of knowledge and can also provide new insights into the seasonality of the Madden–Julian oscillation and its relationships with atmospheric state variables. The neural network identifies the phase of the Madden–Julian oscillation twice as accurately as a linear regression approach, which means that nonlinearities used by the neural network are important to the structure of the Madden–Julian oscillation. Interpretations of the neural network show that it accurately captures the spatial structures of the Madden–Julian oscillation, suggest that the nonlinearities of the Madden–Julian oscillation are manifested through the uniqueness of each event, and offer physically meaningful insights into its relationship with atmospheric state variables. We also use the interpretations to identify the seasonality of the Madden–Julian oscillation and find that the conventionally defined extended seasons should be shifted later by 1 month. More generally, this study suggests that neural networks can be reliably interpreted for geoscientific applications and may thereby serve as a dependable method for testing geoscientific hypotheses.

58 GEOSCIENCES↗
DOE OSTI2023

Application of unsupervised deep learning to image segmentation and in-situ contact angle measurements in a CO 2 -water-rock system

Rock surface wettability is a critical property that regulates multiphase flows in porous media, which can be quantified using the surface contact angle (CA). X-ray micro-computed tomography (μCT) provides an effective approach to in-situ measurements of surface CAs. However, the CA measurement accuracy depends significantly on the quality of CT image segmentation, which is the clustering of CT pixels into separate phases. Inspired by this, we developed a deep learning (DL)-based CA measurement workflow. Motivated by the recent tremendous progress in unsupervised learning techniques and aiming to avoid expensive manual data annotations, an unsupervised DL pipeline for CT image segmentation was proposed and implemented, which includes unsupervised model training and post-processing. The unsupervised model training was driven by a novel loss function constrained with feature similarity and spatial continuity and implemented by iterative forward and backward paths; the former clustered the pixel-wise feature vectors extracted by convolution neural networks, whereas the latter updated the parameters using gradient descent. An over-segmentation strategy was adopted for model training. The post-processing steps based on agglomerative hierarchical clustering (AHC) were implemented to further merge the over-segmented model output to the desired cluster number, which is intended to improve the efficiency of image segmentation. The developed unsupervised DL pipeline was compared with other commonly-used image segmentation methods using pixel-wise and physics-based evaluation metrics on a synthetic raw-image dataset, which had a known ground truth. The unsupervised DL pipeline showed the best performance. Next, the segmented images were input to an automatic CA measurement tool, and the results were validated by comparisons with manual measurements. The CA values from the manual and automatic measurements showed similar distributions and statistical properties. The automatic measurement demonstrated a wider spectrum because of the much larger number of measurement data points. The primary novelty of the unsupervised DL pipeline developed in this study lies in the novel loss function and the over-segmentation strategy associated with AHC post-processing. Finally, the workflow has been proven an efficient tool for pore-scale wettability characterization, which has a wide range of applications in fundamental studies of multiphase flows in natural porous media, which have critical implications to geological carbon sequestration, hydrocarbon energy recovery, and contaminant transport in groundwater.

42 ENGINEERING↗
DOE OSTI2023

Adjoint DSMC for nonlinear spatially-homogeneous Boltzmann equation with a general collision model

We derive an adjoint method for the Direct Simulation Monte Carlo (DSMC) method for the spatially homogeneous Boltzmann equation with a general collision law. This generalizes our previous results in Caflisch et al., which was restricted to the case of Maxwell molecules, for which the collision rate is constant. The main difficulty in generalizing the previous results is that a rejection sampling step is required in the DSMC algorithm in order to handle the variable collision rate. We find a new term corresponding to the so-called score function in the adjoint equation and a new adjoint Jacobian matrix capturing the dependence of the collision parameter on the velocities. The new formula works for a much more general class of collision models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Microbiome dynamics in the congregate environment of U.S. Army Infantry training

Within military training and operational environments, individuals from diverse backgrounds share common spaces, follow structured routines and diets, and engage in physically demanding tasks. While there has been interest in leveraging microbiome features to predict and improve military health and performance, the longitudinal convergence of microbiomes in such constrained environments has not been established. To assess the degree of microbiome convergence, we performed shotgun metagenomic sequencing on swab samples from a military trainee cohort. Samples were taken across four different body sites, three timepoints, and two spatially distinct platoons. We observed evidence of convergence in one platoon, whereby similarity in microbiome composition increased over time, with numerous differentially abundant species. We found no indication of strain transfer between individuals, suggesting that convergence was influenced by external environmental factors, diet, and lifestyle. Microbial shifts observed in the convergence process included a decrease in fungal species, such as Malassezia restricta in nasal cavities, and a decrease in Prevotella species at inguinal regions across time. Shifts in multiple Corynebacterium species were also observed with varying magnitudes depending on the body site. Overall, we provide preliminary evidence of convergence of host microbial communities in military-associated environments that were distinguishable using shotgun metagenomic sequencing approaches. The data presented here on microbiome convergence, dynamics, and stability may inform risk-based mitigation in congregate military settings facilitating development of targeted microbial, dietary, or other interventions to optimize health and performance of military populations.

Biological and medical sciences↗
DOE OSTI2023

A Probabilistic Scheme for Semilinear Nonlocal Diffusion Equations with Volume Constraints

This work presents a probabilistic scheme for solving semilinear nonlocal diffusion equations with volume constraints and integrable kernels. The nonlocal model of interest is defined by a time-dependent semilinear partial integro-differential equation (PIDE), in which the integro-differential operator consists of both local convection-diffusion and nonlocal diffusion operators. Here, our numerical scheme is based on the direct approximation of the nonlinear Feynman–Kac formula that establishes a link between nonlinear PIDEs and stochastic differential equations. The exploitation of the Feynman–Kac representation avoids solving dense linear systems arising from nonlocal operators. Compared with existing stochastic approaches, our method can achieve first-order convergence after balancing the temporal and spatial discretization errors, which is a significant improvement of existing probabilistic/stochastic methods for nonlocal diffusion problems. Error analysis of our numerical scheme is established. The effectiveness of our approach is shown in two numerical examples. The first example considers a three-dimensional nonlocal diffusion equation to numerically verify the error analysis results. The second example presents a physics problem motivated by the study of heat transport in magnetically confined fusion plasmas.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Energy Surplus and an Atmosphere‐Land‐Surface “Tug of War” Control Future Evapotranspiration

Abstract The 21st century evapotranspiration (ET) trends over the continental U.S. are assessed using innovative, energy‐based principles. Annual ET is projected to increase with high confidence at the rate of 20 mm for every 1℃ of rise in near‐surface air temperature, or 0.45 or 0.98 mm/year/year, depending on the emission scenario. The ET trajectory is dominated (58%) by the increase of land‐surface net radiative energy. An enhancement of the fraction of energy taken up by ET becomes a more important controller (53%) in late 21st century, under the high emission scenario. This increase is explained by the “tug of war” between atmospheric vapor demand and land‐surface ability to supply water. An assessment of future water availability (precipitation minus ET) shows no significant changes at the continental scale. This outcome nevertheless hides strong spatial variability, emphasizing the role of ET in shaping the distribution of water availability among human populations.

Xu, Donghui↗
DOE OSTI2024

Spin transport of a doped Mott insulator in moiré heterostructures

Moiré superlattices of semiconducting transition metal dichalcogenide heterobilayers are model systems for investigating strongly correlated electronic phenomena. Specifically, WSe 2 /WS 2 moiré superlattices have emerged as a quantum simulator for the two-dimensional extended Hubbard model. Experimental studies of charge transport have revealed correlated Mott insulator and generalized Wigner crystal states, but spin transport of the moiré heterostructure has not yet been sufficiently explored. Here, we use spatially and temporally resolved circular dichroism spectroscopy to directly image the spin transport as a function of carrier doping and temperature in WSe 2 /WS 2 moiré heterostructures. We observe diffusive spin transport at all hole concentrations at 11 Kelvin — including the Mott insulator at one hole per moiré unit cell — where charge transport is strongly suppressed. At elevated temperatures the spin diffusion constant remains unchanged in the Mott insulator state, but it increases significantly at finite doping away from the Mott state. The doping- and temperature-dependent spin transport can be qualitatively understood using a t–J model, where spins can move via the hopping of spin-carrying charges and via the exchange interaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

Over the last few years, extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high degree of precision. An appealing and challenging route toward engineering materials with tailored properties is to find ways to design or selectively manipulate materials, especially at the quantum level. To this end, having a state-of-the-art ab initio computer simulation tool that enables a reliable and accurate simulation of light-induced changes in the physical and chemical properties of complex systems is of utmost importance. The first principles real-space-based Octopus project was born with that idea in mind, i.e., to provide a unique framework that allows us to describe non-equilibrium phenomena in molecular complexes, low dimensional materials, and extended systems by accounting for electronic, ionic, and photon quantum mechanical effects within a generalized time-dependent density functional theory. This article aims to present the new features that have been implemented over the last few years, including technical developments related to performance and massive parallelism. We also describe the major theoretical developments to address ultrafast light-driven processes, such as the new theoretical framework of quantum electrodynamics density-functional formalism for the description of novel light–matter hybrid states. Those advances, and others being released soon as part of the Octopus package, will allow the scientific community to simulate and characterize spatial and time-resolved spectroscopies, ultrafast phenomena in molecules and materials, and new emergent states of matter (quantum electrodynamical-materials).

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Dynamics of filaments during the edge-localized mode crash on NSTX

Edge localized modes (ELMs) are routinely observed in H-mode plasma regimes of the National Spherical Torus Experiment (NSTX). Due to the explosive nature of the instability, only diagnostics with high temporal and spatial resolution could provide a detailed insight into the dynamics associated with the ELMs. Gas-puff imaging at NSTX provides 2D measurements of the magnetic field aligned fluctuations (e.g., ELM filaments) in the scrape-off layer and at the plasma edge with 2.5 μs temporal and 10 mm optical resolution. A novel analysis technique was developed to estimate the frame-by-frame velocities and the spatial parameters of the dominant structures associated with the ELMs. The analysis was applied to single ELM events to characterize the ELM crash dynamics and then extended to a database of 159 ELM events. Statistical analysis was performed in order to find the characterizing dynamics of the ELM crash. The results show that on average, an ELM crash consists of a filament with a circular cross section, which is propelled outward with a characterizing peak radial velocity of ~3.3 km/s. The radial velocity was found to be linearly dependent on the distance of the filament from the separatrix, which has never been seen before. The ELM filament is characterized by propagation in the ion-diamagnetic direction poloidally with a peak velocity of 11.4 km/s. The ELM crash lasts for approximately 100 μs until the radial propulsion settles back to the pre-ELM level. Furthermore, the experimental findings were compared with analytical theory. Two possible mechanisms were identified for explaining the observations: the curvature interchange model and the current–filament interaction model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗