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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Molecular insights into the complex mechanics of plant epidermal cell walls

Computational analysis of cell walls Layers of intertwined fibers make up plant cell walls. The various types of fibers respond differently to deformation. Cellulose microfibrils, for example, can stretch or curve, changing their end-to-end length, and can also slide past each other, reorient relative directions, and bundle with neighboring microfibrils. Zhang et al. developed a computational model based on observations of onion skin epidermis that describes how these complex changes in space govern cell wall mechanics. The results inform ways to engineer multifunctional fibrous materials. Science , this issue p. 706

Science & Technology - Other Topics↗
DOE OSTI2024

Study of the Pygmy Dipole Resonance via ($d,p$) reactions

The low-lying E1 strength below, around, and partially above the neutron-separation threshold, S n , is often referred to as Pygmy Dipole Resonance (PDR). At the moment, it is not clear whether the PDR is a collective excitation mode and whether it is a general feature of the γ-ray strength function, which needs to be answered to reliably calculate capture rates for nucleosynthesis processes when using statistical Hauser-Feshbach approaches. To further understand the microscopic origin of the PDR and possible cancellation effects between isovector E1 matrix elements, which appear to be strongly model-dependant, an experimental program studying the neutron one-particle-one-hole (1p-1h) structure of the PDR via (d, p) and (d, pγ) reactions was started. Some results of the already published work will be discussed and additional remarks, including future plans, are made.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Lung Cancer in the Mayak Workers Cohort: Risk Estimation and Uncertainty Analysis

The workers at the Mayak nuclear facility near Ozyorsk, Russia are a primary source of information about exposure to radiation at low-dose rates, since they were subject to protracted exposures to external gamma rays and to internal exposures from plutonium inhalation. Here we re-examine lung cancer mortality rates and assess the effects of external gamma and internal plutonium exposures using recently developed Monte Carlo dosimetry systems. Using individual lagged mean annual lung doses computed from the dose realizations, we fit excess relative risk (ERR) models to the lung cancer mortality data for the Mayak Workers Cohort using risk-modeling software. We then used the corrected information matrix (CIM) approach to widen the confidence intervals of ERR by taking into account the uncertainty in doses represented by multiple realizations from the Monte Carlo dosimetry systems. Findings of this work revealed that there were 930 lung cancer deaths during follow-up. Plutonium lung doses (but not gamma doses) were generally higher in the new dosimetry systems than those used in the previous analysis. This led to a reduction in the risk per unit dose compared to prior estimates. The estimated ERR/Gy for external gamma-ray exposure was 0.19 (95% CI: 0.07 to 0.31) for both sexes combined, while the ERR/Gy for internal exposures based on mean plutonium doses were 3.5 (95% CI: 2.3 to 4.6) and 8.9 (95% CI: 3.4 to 14) for males and females at attained age 60. Accounting for uncertainty in dose had little effect on the confidence intervals for the ERR associated with gamma-ray exposure, but had a marked impact on confidence intervals, particularly the upper bounds, for the effect of plutonium exposure [adjusted 95% CIs: 1.5 to 8.9 for males and 2.7 to 28 for females]. In conclusion, lung cancer rates increased significantly with both external gamma-ray and internal plutonium exposures. Accounting for the effects of dose uncertainty markedly increased the width of the confidence intervals for the plutonium dose response but had little impact on the external gamma dose effect estimate. Adjusting risk estimate confidence intervals using CIM provides a solution to the important problem of dose uncertainty. This work demonstrates, for the first time, that it is possible and practical to use our recently developed CIM method to make such adjustments in a large cohort study.

uncertainty, radiation risk estimation, Mayak Prod↗
DOE OSTI2024

Faster Tensor Network Decoding for Topological Quantum Codes

We present a fast and Bayes-optimal-approximating tensor network decoder for planar quantum LDPC codes based on the tensor renormalization group algorithm, originally proposed by Levin, and Nave. By precomputing the renormalization group flow for the null syndrome, we need only recompute tensor contractions in the causal cone of the measured syndrome at the time of decoding. This allows us to achieve an overall runtime complexity of ($pnχ^6$) where p is the depolarizing noise rate, and χ is the cutoff value used to control singular value decomposition approximations used in the algorithm. We apply our decoder to the surface code in the code capacity noise model and compare its performance to the original matrix product state (MPS) tensor network decoder introduced by Bravyi, Suchara, and Vargo. The MPS decoder has a p-independent runtime complexity of $\mathcal{O}(nχ^3)$ resulting in significantly slower decoding times compared to our algorithm in the low-p regime.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Search for HH → bbτ⁺τ⁻ Using Run 3 Scouting Data Analyze b-tagging and tau-tagging Performance with Unified Particle Transformer

B-tagging and tau-tagging performances play an important role in the search for the rare event HH → bbτ⁺τ⁻. A transformer-based neural network, Unified Particle Transformer, is applied for both tagging tasks, and Run 3 proton–proton collision scouting data at center-of-mass energy of 13.6 TeV is used. The scouting data stream accepts events at a much higher rate compared to traditional triggers, but stores only the objects reconstructed in the trigger, no low-level detector information. Therefore, existing taggers trained for the offline event reconstruction cannot be used. Analysis of the SoftMax plots, ROC/AUC curves, confusion matrix, accuracy and losses are used to evaluate model performance. Specifically, the tagging efficiency of the signal and misidentification probability across multiple background processes are compared for varying working points. Different training samples with distinct distributions of jet flavors are utilized and related model performances are analyzed. Interpretability methods, such as Integrated Gradients, may further be applied to study the input features’ influence on the model’s decisions, providing insights into potential improvements.

Chen, Blair [Purdue U., West Lafayette; Fermilab]↗
DOE OSTI2023

Feeder Power Disaggregation: A Data-Efficient Matrix Completion Approach: Preprint

This paper presents a data-driven algorithm for the feeder power disaggregation problem in distribution systems. Leveraging spatio-temporal power patterns in residential homes, residential power is discomposed into three components: sparse-switching loads, periodic loads, and photovoltaic generation, using two sparse matrices and a rank-one matrix. The matrix completion process is data-efficient because of the matrix sparsity and low rankness, along with the use of power system models. The proposed approach is tested using real-world residential datasets on a 33-bus distribution system, demonstrating accurate power disaggregation with efficient matrix completion.

distribution system↗
DOE OSTI2024

Study of neutron beta decay with the Nab experiment

The current three sigma tension in the unitarity test of the Cabbibo-Kobayashi-Maskawa (CKM) matrix is a notable problem with the Standard Model of elementary particle physics. A long-standing goal of the study of free neutron beta decay is to better determine the CKM element Vud through measurements of the neutron lifetime and a decay correlation parameter. The Nab collaboration intends to measure a, the neutrino-electron correlation, with accuracy sufficient for a competitive evaluation of Vud based on neutron decay data alone. This paper gives a status report and an outlook.

Baessler, Stefan↗
DOE OSTI2021

Unified description of the coupled-channels and statistical Hauser-Feshbach nuclear reaction theories for low energy neutron incident reactions

We incorporate the coupled-channels optical model into the statistical Hauser-Feshbach nuclear reaction theory, where the scattering matrix is diagonalized by performing the Engelbrecht-Weidenmüller transformation. This technique has been implemented in the coupled-channels optical model code ECIS by J. Raynal, and we extend this method so that all the open channels in a nucleon-induced reaction on a deformed nucleus can be calculated consistently.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Extracting the Pion Distribution Amplitude from Lattice QCD through Pseudo-Distributions

The Light-Cone Distribution Amplitude (LCDA) encodes the non-perturbative information of the leading Fock component of the hadron wave function, therefore required for processes including exclusive hadron production. As the Pseudo-Nambu-Goldstone boson of QCD, the nonperturbative structure of the pion is of particular interest. Progress on the Lattice QCD calculation of the pion LCDA on O(a) -improved Wilson fermion ensembles at several lattice spacings is presented. Excited-state systematics are taken into account within a Bayesian Model Averaging framework. A Renormalization-Group-Invariant (RGI) ratio of matrix elements is formed for further extraction of the pion LCDA.

Kovner, Daniel↗
DOE OSTI2023

Hund bands in spectra of multiorbital systems

Spectroscopy experiments are routinely used to characterize the behavior of strongly correlated systems. An in-depth understanding of the different spectral features is thus essential. Here, we show that the spectrum of the multiorbital Hubbard model exhibits unique Hund bands that occur at energies given only by the Hund coupling J H , as distinct from the Hubbard satellites following the interaction U. We focus on experimentally relevant single-particle and optical spectra that we calculate for a model related to iron chalcogenide ladders. The calculations are performed via the density-matrix renormalization group and Lanczos methods. Finally, the generality of the implications is verified by considering a generic multiorbital model within dynamical mean-field theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Soft particles and infinite-dimensional geometry

Abstract In the sigma model, soft insertions of moduli scalars enact parallel transport ofS-matrix elements about the finite-dimensional moduli space of vacua, and the antisymmetric double-soft theorem calculates the curvature of the vacuum manifold. We explore the analogs of these statements in gauge theory and gravity in asymptotically flat spacetimes, where the relevant moduli spaces are infinite-dimensional. These models have spaces of vacua parameterized by (trivial) flat connections on the celestial sphere, and soft insertions of photons, gluons, and gravitons parallel transportS-matrix elements about these infinite-dimensional manifolds. We argue that the antisymmetric double-soft gluon theorem ind + 2 bulk dimensions computes the curvature of a connection on the infinite-dimensional space Map ( S d , G ) / G , whereGis the global part of the gauge group. The analogous metrics in abelian gauge theory and gravity are flat, as indicated by the vanishing of the antisymmetric double-soft theorems in those models. In other words, Feynman diagram calculations not only know about the vacuum manifold of Yang–Mills theory, they can also be used to compute its curvature. The results have interesting implications for flat space holography.

Astronomy & Astrophysics↗
DOE OSTI2026

Chiral spin liquid and quantum phase transition in the triangular-lattice Hofstadter-Hubbard model

Recent advances in moiré engineering motivate the study of lattice models of strongly correlated electrons subjected to substantial orbital magnetic flux. We analyze the triangular-lattice Hofstadter-Hubbard model at one-quarter flux quantum per plaquette and a density of one electron per site, where a chiral spin liquid phase may exist between weak-coupling integer quantum Hall and strong-coupling 120° antiferromagnetic phases. Here, we use matrix product state methods and analytical arguments to investigate this model compactified to cylinders of finite circumference. We uncover a glide particle-hole symmetry operation which, we argue, is spontaneously broken at the quantum Hall to spin liquid transition on odd-circumference cylinders. We numerically verify the spontaneous symmetry breaking and further demonstrate that this transition is associated with algebraic long-range correlations of various spin-singlet, charge-neutral operators. For even-circumference cylinders, the transition becomes a crossover associated with a large correlation length that grows substantially with circumference. Our findings suggest that in the two-dimensional limit, the transition to a chiral spin liquid phase is continuous and features critical fluctuations of the current.

Divic, Stefan [University of Pennsylvania, Philade↗
DOE OSTI2023

Feeder Power Disaggregation: A Data-Efficient Matrix Completion Approach

This paper presents a data-driven algorithm for the feeder power disaggregation problem in distribution systems. Leveraging spatio-temporal power patterns in residential homes, residential power is discomposed into three components: sparse-switching loads, periodic loads, and photovoltaic (PV) generation, which are characterized through the design of two sparse matrices and a low-rank matrix. The matrix completion process is data-efficient because of the matrix sparsity and low rankness, along with the use of power system models. The proposed approach is tested using real-world residential data set on a 33-bus distribution system, demonstrating accurate power disaggregation with efficient matrix completion.

distribution system↗
DOE OSTI2025

Multi-scale modeling of wastage layer formation in metallic fuel cladding

Fuel-cladding chemical interaction (FCCI) is a major concern for U-Zr metallic fuels' performance, primarily due to the formation of a brittle layer (wastage) in the cladding. This brittle layer, resulting from intermetallic compounds between cladding constituents Fe, Cr, and lanthanide fission products, significantly impacts the cladding's mechanical integrity. Recent efforts focus on developing a mechanistic modeling framework to understand lanthanide production, transport to the fuel-cladding interface, and phase transformation to intermetallic phases. A multi-scale computational approach has been used to calculate lanthanide transport rates, with atomistic calculations determining Nd diffusivities through the solid fuel matrix and along pore surfaces. These diffusivities inform a mesoscale model to determine an effective diffusion coefficient, accounting for porosity and infiltration with bond sodium. This effective diffusivity is used in engineering-scale simulations via the BISON fuel performance code, which has been validated against EBR-II and FFTF reactor experiments.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Interlayer fusion bonding of semi-crystalline polymer composites in extrusion deposition additive manufacturing

This work focuses on the evolution of interlayer fracture toughness properties of fiber-reinforced, semi-crystalline polymers in the extrusion deposition additive manufacturing (EDAM) process. Further, this work bridges the gap between the additive process conditions (time-temperature history) and the effective layer-to-layer fracture properties developed within a printed component. This is the first step to predict delamination that can occur during printing, during cooling to room temperature after printing, and during service performance of an additively manufactured geometry. A phenomenological model is developed for fusion bonding of semi-crystalline polymer matrix composites by coupling the interdiffusion of polymer chains with the evolution of polymer crystallinity. While the interdiffusion is captured by reptation theory of polymer dynamics, the evolution of crystallinity is modeled by phenomenological crystallization kinetics and crystal melting dynamics. Further, a methodology is developed to determine the critical strain energy release rate, G IC of the interlayer interface and experiments are conducted utilizing the double cantilever beam fracture test geometry. In conclusion, predictions of GIC as a function of thermal history are compared with experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Improved Statistical Analysis for the Neutrinoless Double-Beta Decay Matrix Element of 136Xe

Neutrinoless double beta decay nuclear matrix element (M0ν) for 136Xe was recently analyzed using a statistical approach (Phys. Rev. C 107, 045501 (2023)). In the analysis, three initial shell model effective Hamiltonians were randomly altered, and their results for 23 measured observables were used to infer credibility for the M0ν nuclear matrix element (NME) based on a Bayesian Model Averaging approach. In that analysis, a reasonable Gamow-Teller quenching factor of 0.7 was assumed for each starting effective Hamiltonian. Given that the result of the statistical analysis was sensible to this choice, we are here improving that analysis by assuming that the Gamow-Teller quenching factor is also randomly chosen within reasonabe limits for all three starting Hamiltonians. The outcomes are slightly higher expectation values and uncertainties for the M0ν NME.

Astronomy & Astrophysics↗
DOE OSTI2024

Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels

To address the challenge of performance portability and facilitate the implementation of electronic structure solvers, we developed the basic matrix library (BML) and Parallel, Rapid O(N), and Graph-based Recursive Electronic Structure Solver (PROGRESS) library. The BML implements linear algebra operations necessary for electronic structure kernels using a unified user interface for various matrix formats (dense and sparse) and architectures (CPUs and GPUs). Focusing on density functional theory and tight-binding models, PROGRESS implements several solvers for computing the single-particle density matrix and relies on BML. In this paper, we describe the general strategies used for these implementations on various computer architectures, using OpenMP target functionalities on GPUs, in conjunction with third-party libraries to handle performance critical numerical kernels. In this study, we demonstrate the portability of this approach and its performance in benchmark problems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Evaluation of the cytotoxic and cellular proteome impacts of food-grade TiO2 (E171) using simulated gastrointestinal digestions and a tri-culture small intestinal epithelial model

Engineered nanomaterials (ENMs) are widely used in the food industry; however, regulations for ENMs in food are still in the early stages of development due to insufficient health data. This study investigated the cytotoxicity and changes to the proteomic profile in an in vitro small intestinal epithelium model after exposure to digested food models containing the ubiquitous engineered particulate food additive, TiO2 (E171). TiO2 at 0.75% or 1.5% (w/w) concentrations in either a fasting food model (FFM) or a standardized food model (SFM) based on American diet were digested using an in vitro oral-gastric-small intestinal simulator, and the resulting digestas were applied to a small intestinal epithelium tri-culture cellular model. Effects on cell layer integrity, cytotoxicity, and oxidative stress were assessed. In order to explore impact on cellular processes beyond basic cytotoxicity, mass spectrometrybased quantitative proteomic analyses of control and exposed tri-culture cells was performed. TiO2 in FFM, but not in SFM, produced significant, dose-dependent cytotoxicity, and at the higher dose caused significant oxidative stress, indicative of a food matrix effect. No significant perturbations of the cellular proteome were observed with TiO2 in either FFM or SFM food models. However, proteins involved in the tricarboxylic acid (TCA) cycle, gluconeogenesis, and translation were up-regulated by digestas from SFM compared to those from FFM, also indicative of food matrix effects in the case of food models alone. Interestingly, the differences in profiles between the two food models was more pronounced in the presence of TiO2 indicative of food matrix effects. Together, these results indicate that TiO2 in a fasting diet may be slightly cytotoxic, and that ingested TiO2 does not significantly alter the epithelial proteome, whereas the food matrix alone can have a dramatic effect on the proteome.

Cao, Xiaoqiong↗