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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Lie group analysis of the point-reactor neutron kinetics equations for various reactivity models

This work applies Lie Group Theory to the nonlinear point-reactor neutron kinetics equations for several reactivity feedback and reactivity insertion models. The goal of this work is to connect known analytical solutions to their corresponding Lie groups as well as to obtain new analytical solutions and the circumstances from which they arise. The reactivity models we consider are the Nordheim-Fuchs Model, an arbitrary-order polynomial reactivity insertion model, and the Fuchs Ramp-Insertion Model. In all three models, we generalize the analysis when possible and obtain analytical solutions in every case. For the first two models, we succeed in finding the Lie groups corresponding to classical solutions and find additional solutions that were otherwise unknown. Finally, for the final model, we obtain a reduced-order nonlinear kinetics equation which is not analytically solvable, but by applying a second-order truncation, we find a novel closed-form solution and demonstrate its validity with a numerical example.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Dynamical quantum phase transitions of quantum spin chains with a Loschmidt-rate critical exponent equal to $\frac{1}{2}$

In this work, we describe a new universality class of dynamical quantum phase transitions of the Loschmidt amplitude of quantum spin chains off equilibrium criticality. We demonstrate that in many cases it is possible to change the conventional linear singularity of the Loschmidt rate function into a smooth peak by tuning one parameter of the quench protocol. Exactly at the point when this change-over occurs, the singularity of the Loschmidt rate function persists, with a critical exponent equal to $\frac{1}{2}$. The nonequilibrium renormalization group fixed point controlling this universality class is described. An asymptotically exact renormalization group recursion relation is derived around this fixed point to obtain the critical exponent.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Recent Progress on Surface Water Quality Models Utilizing Machine Learning Techniques

Surface waterbodies are heavily exposed to pollutants caused by natural disasters and human activities. Empowering sensor technologies in water quality monitoring, sufficient measurements have become available to develop machine learning (ML) models. Numerous ML models have quickly been adopted to predict water quality indicators in various surface waterbodies. This paper reviews 78 recent articles from 2022 to October 2024, categorizing water quality models utilizing ML into three groups: Point-to-Point (P2P), which estimates the current target value based on other measurements at the same time point; Sequence-to-Point (S2P), which utilizes previous time series data to predict the target value at one time point ahead; and Sequence-to-Sequence (S2S), which uses previous time series data to forecast sequential target values in the future. The ML models used in each group are classified and compared according to water quality indicators, data availability, and model performance. Widely used strategies for improving performance, including feature engineering, hyperparameter tuning, and transfer learning, are recognized and described to enhance model effectiveness. The interpretability limitations of ML applications are discussed. This review provides a perspective on emerging ML for surface water quality models.

machine learning (ML)↗
DOE OSTI2025

A generalizable machine learning-assisted fast Fourier transform algorithm to simulate the large strain phenomena in polycrystalline materials

Machine learning methods have shown initial promise in constitutive modeling for single crystals or homogenized polycrystals, delivering notable computational efficiency. However, existing machine learning-based constitutive models often lack generalizability, limiting their application across diverse boundary value problems. This study introduces a thermodynamics-informed artificial neural network model to accelerate rate-tangent crystal plasticity fast Fourier transform simulations for cross-scale deformation behaviors of polycrystals under complex loading. Our model integrates microstructural variability and local interactions effectively. To address local effects in each grain, we employ K-means clustering to group Gauss points within the microstructure into clusters assumed to be in similar mechanical states. This approach, based on self-clustering analysis, extends model scope from macroscopic stress response to the granular level, capturing mechanical responses and orientation evolution across grains. This reduces the number of nonlinear problems to solve, with cluster responses propagated throughout each group. The thermodynamics-based artificial neural network-extracted features are further processed using local material state clusters to account for history-dependent deformation and evolving microstructures. Additionally, representative volume element simulations with rate-tangent crystal plasticity fast Fourier transform provide reliable datasets for model training. The proposed model demonstrates high efficiency, accuracy, self-consistency, and enhanced generalizability in predicting strain–stress responses and orientation evolution at both individual grain and aggregate scales under complex loading conditions, such as biaxial tension and arbitrary loading scenarios.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Line operators in Chern-Simons-Matter theories and Bosonization in Three Dimensions II: Perturbative analysis and all-loop resummation

We study mesonic line operators in Chern-Simons theories with bosonic or fermionic matter in the fundamental representation. In this paper, we elaborate on the classification and properties of these operators using all loop resummation of large N perturbation theory. We show that these theories possess two conformal line operators in the fundamental representation. One is a stable renormalization group fixed point, while the other is unstable. They satisfy first-order chiral evolution equations, in which a smooth variation of the path is given by a factorized product of two mesonic line operators. The boundary operators on which the lines can end are classified by their conformal dimension and transverse spin, which we compute explicitly at finite ’t Hooft coupling. We match the operators in the bosonic and fermionic theories. Finally, we extend our findings to the mass deformed theories and discover that the duality still holds true.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Long-Term Structural and Chemical Stability of Carbon Electrodes in Vanadium Redox Flow Battery

Predicting the performance decay in carbon electrodes is critical to maximizing the longevity of redox flow battery (RFB) systems. This study investigates the effect of long-term cycling (over 8000 cycles) on the structural and chemical evolution of carbon electrodes. We find that the microstructural aspects such as graphitic stacking order and interlayer spacing along with overall morphological construct remains largely unchanged even after the prolonged cycling process. Conversely, significant changes in surface chemistry such as evolution of functional groups and point defects are evident from our combined multimodal spectroscopic and computational analysis. The XPS and FTIR analysis reveals chemical absorption of chloride counter anions at point defects within graphitic surface. Additionally, our results suggest that vanadium cation plays an important role in counter anion-carbon surface interaction and subsequently the surface chemistry evolutions. Our findings provide insights about surface chemical evolution that is critical for predicting electrode performance and longevity of RFB.

Modachur Sivakumar, Bhuvaneswari↗
DOE OSTI2022

TRIPOLI-4 neutronics calculations for IAEA-CRP benchmark of CEFR start-up tests using new libraries JEFF-3.3 and ENDF/B-VIII

Sodium-cooled Fast Reactors (SFR) are one of the promising Generation IV fast reactors. The China Experimental Fast Reactor (CEFR) is a 65 MWth pool-type SFR with a high neutron leakage core using high enriched uranium oxide fuel. The CEFR start-up tests in 2010 consist of series of neutronics experiments. Essential experimental data are available from the 2018 IAEA-CEFR-CRP benchmark document and useful for the validation of neutron transport codes and nuclear data libraries. The TRIPOLI-4 Monte Carlo transport code is a general-purpose neutronics code using continuous-energy nuclear data libraries. It has a rich validation database covering different computational and experimental benchmark data sets to assure the accuracy and credibility of numerical studies. Previous TRIPOLI-4 SFR core physics calculations used mainly MOX fuels. SFR control rod worth studies with TRIPOLI-4 were mainly on big-size cores. To test the modeling capability of TRIPOLI-4 on fuel loading patterns and on variable control rods positions for SFRs and to check recent nuclear data libraries, it is interesting to investigate the CEFR start-up tests in this work, including core states from subcritical to supercritical, control rods and rod group worth, point kinetics parameters, and radial foil activation measurements. TRIPOLI-4 calculation results using new data libraries JEFF-3.3, ENDF/B-VIII, and those of ENDF/B-VII.1 for different CEFR core states are reported here. By means of different options of TRIPOLI-4, control-rod SAs reactivity worth, point kinetics parameters, and radial {sup 237}Np(n,f) fission rate distribution were successfully evaluated. Both ENDF/B-VIII and JEFF-3.3 nuclear data libraries provided reliable results with a difference of 170 +/- 11 pcm in k{sub eff}.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Osteoporosis Treatments Affect Bone Matrix Maturation in a Rat Model of Induced Cortical Remodeling

ABSTRACT To test how osteoporosis drugs affect bone matrix maturation during cortical bone remodeling, 72 pregnant rats were switched from a 0.4% to a 0.01% calcium diet at parturition for a 23‐day lactation period. At weaning, eight dams were sacrificed to establish baseline values, while the remaining dams were returned to 0.4% calcium and treated with vehicle (saline), sodium fluoride (NaF), zoledronic acid (ZA), or sclerostin antibody (Scl‐Ab) for either 7 or 28 days (eight animals per group per time point). Femora were examined by μCT, dynamic histomorphometry, Fourier transform infrared imaging, and three‐point bending of notched specimens. Cortical porosity decreased in all groups from baseline to day 28. Intracortical mineralizing surface (MS/BS) and mineral apposition rate (MAR), as well as the mineral‐to‐matrix ratio were unaffected by treatment, but intracortical crystallinity was increased in the ZA group at day 10 compared with vehicle. Cortical area increased in all groups over 28 days mainly because of an addition of bone at the endocortical surface. Endocortical MS/BS did not vary among the groups, but endocortical MAR was suppressed in the NaF group at day 2 and elevated in the Scl‐Ab group at day 4 compared with vehicle. Endocortical mineral‐to‐matrix ratio was increased at days 5 and 10 following NaF treatment and endocortical crystallinity was increased at day 5 following ZA treatment compared with vehicle. Fracture toughness did not differ among the groups. Thus, the treatments affected matrix maturation more strongly at the endocortical then intracortical envelope. In this model of induced remodeling, the bone formation phase is synchronized at multiple sites, facilitating study of the effects of drugs or other bone‐targeting agents on matrix maturation independent of their effects on the initiation of remodeling. © 2020 The Authors. JBMR Plus published by Wiley Periodicals, Inc. on behalf of American Society for Bone and Mineral Research.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Vision-Guided Automation and Assistance

Robotic automation and assistance is an excellent way to increase efficiency and safety when working in a potentially hazardous workspace. However, many traditional automation approaches rely on the precise placement of items to be manipulated. The scope of such automated tasks is also limited to the manipulation of one type of object since there is no way to distinguish between different objects. The addition of a vision pipeline, where robot vision is used to localize and recognize objects, can allow the robot to perform more complex tasks in a variable workspace. In my vision pipeline, a depth camera is used to generate a 3D point cloud of the workspace. Objects to be manipulated are isolated in the point cloud by filtering out shared surfaces and using Euclidean cluster extraction to group clusters of points. The locations of the objects are then estimated from the point cloud of the isolated objects. The localization of objects with robot vision allows for variable workspaces, reducing the overhead associated with requiring all objects to be precisely placed in the workspace. For object recognition, deep learning is used to train a neural network that classifies objects from the raw point clouds. More complex tasks that require multiple objects to be manipulated differently can be achieved through the vision pipeline. Through its ability to visualize the workspace, robot vision greatly improves efficiency and safety of automated and assistive tasks.

42 ENGINEERING↗
DOE OSTI2024

Chemical changes from N-doped graphene and Metal-Organic Frameworks to N-G/MOF composites for improved electrocatalytic activity

Integrating N doped graphene (N G) with Metal Organic Frameworks (MOFs) enhances catalytic activity for oxygen reduction reaction (ORR), often exceeding both the performances of their precursors and, in some cases, even PGM based catalysts. However, the factors driving this improved catalytic activity in N G/MOF composites remain unexplored, particularly from the perspective of the chemical changes. To investigate the chemical changes in N G and MOF upon their integration and the implications of these changes on ORR catalytic activity, an N G/MOF was synthesized from N G with a MOF (ZIF 8) following a mechanochemical wet ball milling process. The N G, ZIF 8, and N G/MOF samples were examined for changes in elemental composition, chemical state of carbon, different nitrogen and carbon bonds, and other chemical interactions. In the N G/MOF catalyst, compared to its N G and ZIF 8 precursors, the relative oxygen content increased, indicating the formation of additional oxygen containing groups. The C 1s peak shifted to a lower binding energy in N G/MOF, suggesting changes in the overall chemical or oxidation state of the carbon atoms. Besides, the increase in pyridinic N functional groups in N G/MOF points to the formation of additional active sites. Furthermore, the formation of C Zn bonds in N G/MOF suggests the probable emergence of single atom Zn sites, while the increase in C=O bonds points to the formation of carboxyl or carbonyl groups. These chemical changes could be linked to the enhanced electrocatalytic activity of the N G/MOF composite for ORR. In conclusion, this study may also be beneficial for other research focused on developing composite catalysts involving various N G and MOF materials.

25 ENERGY STORAGE↗
DOE OSTI2020

Universality and quantum criticality in quasiperiodic spin chains

Abstract Quasiperiodic systems are aperiodic but deterministic, so their critical behavior differs from that of clean systems and disordered ones as well. Quasiperiodic criticality was previously understood only in the special limit where the couplings follow discrete quasiperiodic sequences. Here we consider generic quasiperiodic modulations; we find, remarkably, that for a wide class of spin chains, generic quasiperiodic modulations flow to discrete sequences under a real-space renormalization-group transformation. These discrete sequences are therefore fixed points of a functional renormalization group. This observation allows for an asymptotically exact treatment of the critical points. We use this approach to analyze the quasiperiodic Heisenberg, Ising, and Potts spin chains, as well as a phenomenological model for the quasiperiodic many-body localization transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Automatic microseismic event picking via unsupervised machine learning

SUMMARY Effective and efficient arrival picking plays an important role in microseismic and earthquake data processing and imaging. Widely used short-term-average long-term-average ratio (STA/LTA) based arrival picking algorithms suffer from the sensitivity to moderate-to-strong random ambient noise. To make the state-of-the-art arrival picking approaches effective, microseismic data need to be first pre-processed, for example, removing sufficient amount of noise, and second analysed by arrival pickers. To conquer the noise issue in arrival picking for weak microseismic or earthquake event, I leverage the machine learning techniques to help recognizing seismic waveforms in microseismic or earthquake data. Because of the dependency of supervised machine learning algorithm on large volume of well-designed training data, I utilize an unsupervised machine learning algorithm to help cluster the time samples into two groups, that is, waveform points and non-waveform points. The fuzzy clustering algorithm has been demonstrated to be effective for such purpose. A group of synthetic, real microseismic and earthquake data sets with different levels of complexity show that the proposed method is much more robust than the state-of-the-art STA/LTA method in picking microseismic events, even in the case of moderately strong background noise.

Chen, Yangkang↗
DOE OSTI2023

Effective and asymptotic criticality of structurally disordered magnets

Changes in magnetic critical behaviour of quenched structurally-disordered magnets are usually exemplified in experiments and in MC simulations by diluted systems consisting of magnetic and non-magnetic components. In our study we aim to show that similar effects can be observed not only for diluted magnets with non-magnetic impurities but may be implemented, e.g., by the presence of two (and more) chemically different magnetic components as well. Therefore we consider a model of the structurally-disordered quenched magnet where all lattice sites are occupied by Ising-like spins of different lengths L. In such a random spin length Ising model, the length L of each spin is a random variable governed by the distribution function p (L). We demonstrate that this model belongs to the universality class of the site-diluted Ising model. This proves that both models are described by the same values of asymptotic critical exponents. However, their effective critical behaviour differs. As a case study, we consider a quenched mixture of two different magnets with values of elementary magnetic moments L 1 = 1 and L 2 = s, and of concentration c and 1 - c, correspondingly. We apply field-theoretical renormalization group approach to analyse the renormalization group flow for different initial conditions, triggered by s and c, and to calculate effective critical exponents further away from the fixed points of the renormalization group transformation. We show how the effective exponents are governed by difference in properties of the magnetic components.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Spin Berry points as crucial for ultrafast demagnetization

Laser-induced ultrafast demagnetization has puzzled researchers around the world for over two decades. Intrinsic complexity in electronic, magnetic and phononic subsystems is difficult to understand microscopically. So far, it is not possible to explain demagnetization using a single mechanism, which suggests a crucial piece of information still missing. In this paper, we return to a fundamental aspect of physics: spin and its change within each band in the entire Brillouin zone. We employ face-centered cubic (fcc) Ni as an example and use an extremely dense k mesh to map out spin changes for every band close to the Fermi level along all the high symmetry lines. To our surprise, spin angular momentum at some special k points abruptly changes from [Formula: see text] to [Formula: see text] simply by moving from one crystal momentum point to the next. This explains why intraband transitions, which the spin superdiffusion model is based upon, can induce a sharp spin moment reduction, and why electric current can change spin orientation in spintronics. These special k points, which are called spin Berry points [M. V. Berry, Proc. R. Soc. Lond. A 393 (1984) 45], are not random and appear when several bands are close to each other, so the Berry potential of spin majority states is different from that of spin minority states. Although within a single band, spin Berry points jump, when we group several neighboring bands together, they form distinctive smooth spin Berry lines. It is the band structure that disrupts those lines. Spin Berry points are crucial to laser-induced ultrafast demagnetization and spintronics.

Physics↗
DOE OSTI2021

Hydraulic architecture explains species moisture dependency but not mortality rates across a tropical rainfall gradient

Aim Intensified droughts are affecting tropical forests across the globe. However, the underlying mechanisms of tree drought response and mortality are poorly understood. Hydraulic traits and especially hydraulic safety margins (HSMs), i.e. the extent to which plants buffer themselves from thresholds of water stress, provide insights into species-specific drought vulnerability. Methods We investigated hydraulic traits during an intense drought triggered by the 2015-2016 El Niño on 27 canopy trees across three tropical forest sites with differing precipitation. We capitalized on the drought event as a time when plant water status might approach or exceed thresholds of water stress. We investigated the degree to which these traits varied across the rainfall gradient, as well as relationships amongst hydraulic traits and species-specific optimal moisture and mortality rates. Results There were no differences among sites for any measured trait. There was strong coordination among traits, with a network analysis revealing two major groups of coordinated traits. In one group there were water potentials, turgor loss point, sapwood capacitance and density, HSMs, and mortality rate. In the second group there was leaf mass per area, leaf dry matter content, hydraulic architecture (leaf area to sapwood area ratio), and species-specific optimal moisture. Conclusion These results demonstrated that while species with greater safety from turgor loss had lower mortality rates, hydraulic architecture was the only trait that explained species’ moisture dependency. Species with a greater leaf area to sapwood area ratio were associated with drier sites and reduced their transpirational demand during the dry season via deciduousness.

Hydraulic Saftey Margins, drought, tropical forest↗
DOE OSTI2022

Single pair of Weyl nodes in the spin-canted structure of EuCd 2 As 2

We report time reversal symmetry breaking Weyl semimetals are unique among Weyl materials in allowing the minimal number of Weyl points, thus offering the clearest signatures of the associated physics. Here we present neutron diffraction, density-functional theory, and transport measurement results which indicate that EuCd 2 As 2 , under ambient field, strain, and pressure, is such a material with a single pair of Weyl points. Our work reveals a magnetic structure (magnetic space group C2'/m') with Eu moments pointing along the [210] direction in plane and canted ~ 30° out of plane. Density functional theory calculations using this structure show that the observed canting drastically alters the relevant electronic bands, relative to the in-plane order, leading to a single set of well-defined Weyl points. Furthermore, we find the canting angle can tune the distance of the Weyl points above the Fermi level, with the smallest distance at low canting angles. Finally, transport measurements of the anomalous Hall effect and longitudinal magnetoresistance exhibit properties indicative of a chiral anomaly, thus supporting the neutron scattering and DFT results suggesting EuCd 2 As 2 is close to the ideal situation of the Weyl hydrogen atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Integrated Environmental Management System Communication at Large Sites - 20480

At a large Department of Energy-owned (DOE) site, there are challenges to communicating Environmental Management System (EMS) topics effectively. With multiple contractors and Environmental Management System scopes, as well as a large number of employees, communication preferences and possibilities vary, providing both the benefit and the challenge of differing pathways for sharing information. Additionally, data collection for site-wide environmental reporting involves numerous points of contact spread across contractors and requires organization and integrated communication. Focusing on the value of communication to enhance EMS education and awareness to drive environmental performance, we discuss the communication methods used both at a site-wide level and by individual organizations. Example methods include site-wide working group meetings, internal Share Point, site-wide surveys, collaborative reporting, weekly newsletters, and combined communication efforts with the Integrated Safety Management System (ISMS). Using external audit results to gauge employee environmental awareness and culture, we analyze the effectiveness of EMS communications. In conclusion, integration of EMS communication in alignment with the ISMS has assisted in meeting International Organization of Standardization 14001 (ISO 14001) requirements and strengthened the concept that environmental protection is part of safety for workers and the site. Increased environmental enthusiasm and awareness supports the effectiveness of EMS communication methods and positive external audit results. These results benefit other sites with EMS to gain knowledge of integrated communication efforts that increase the effectiveness of the EMS, environmental performance, and conformance with ISO 14001. By assessing the effectiveness of actual EMS communication methods, contractors will be able to take away tools to enhance environmental communication in their workplace. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗