Search NASA⌕ Search

SEARCH · Search NASA

Results for “Evolution operators”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Effects of the distribution and evolution of the coefficient of friction along a fault on the assessment of the seismic activity associated with a hypothetical industrial-scale geologic CO 2 sequestration operation

Carbon capture and storage (CCS) in geological formations is considered as a promising option that could limit CO 2 emissions from human activities into the atmosphere. However, there is a risk that pressure buildup inside the storage formation can induce slip along preexisting faults and create seismic event felt by the population. To prevent this to happen a geomechanical fault stability analysis should be performed, considering uncertainties of input parameters. In this paper, we investigate how the distribution of the coefficient of friction and the applied frictional law could influence the assessment of fault stability and the characteristics of potential injection-induced seismic events. Our modelling study is based on a hypothetical industrial-scale carbon sequestration project located in the Southern San Joaquin Basin in California, USA, where the stability on a major (25 km long) fault that bounds the sequestration site is assessed during 50 years of CO 2 injection. We conduct nine simulations in which the distributions of the coefficients of static and dynamic friction are changed to simulate a hardening and softening phase before and during rupture. Here, our main findings are: (i) variations in friction along the fault have an important effect on the predicted seismic activity, with maximum magnitude ranging from 1.88 to 5.88 and number of seismic events ranging from 338 to 3272; (ii) the extreme values of the coefficient of friction (lowest and highest) present along the rupture area control how much stress is accumulated before rupture; and (iii) an argillaceous caprock can prevent the development of large magnitude seismic events but favor the occurrence of a large number of smaller events.

58 GEOSCIENCES↗
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 OSTI2024

Best Practices for Resilience in Smart Grid-Interactive Efficient Buildings

The Federal Energy Management Program (FEMP) supports federal agencies' energy decisions with information and guidance on design, funding, and operations to ensure federal buildings are efficient and resilient. The modernization of building infrastructure and the evolution of buildings to support decarbonization involves complex implementation of multiple components across several systems. This includes energy-efficient equipment, on-site energy generation and storage systems, and control systems. These systems have operational modes that can operate more efficiently if they are able to behave responsively to the conditions of the electrical grid. These grid-interactive efficient buildings (GEB) allow facilities to manage power demand according to operational constraints and market signals issued by grid operators. With proper design and planning, these same capabilities have the potential to enable building and facility resilience - coordinating with microgrids, maintaining power on critical circuits to sustain essential operations, and monitoring building health and safety status during an outage. By managing the load of buildings, GEBs can also reduce the cost of backup generation and make better use of renewable power sources on site. This document outlines some of the processes and considerations to guide the design and operation of GEBs in ways that promote facility resilience.

building decarbonization↗
DOE OSTI2022

High‐Energy‐Density Chelated Chromium Flow Battery Electrolyte at Neutral pH

Abstract High‐concentration operation of redox flow batteries (RFBs) is essential for increasing their energy‐storage capacity, but non‐acidic electrolytes struggle to achieve the high concentrations of metal ions dissolved in acid, limiting the development of energy‐dense neutral pH electrolytes. We report neutral pH RFB operation of chromium 1,3‐propylenediaminetetraacetate (CrPDTA) at concentrations of 1.2 M at room temperature and 1.6 M at 40 °C, demonstrating 60% higher negolyte capacity, up to 42.9 Ah L −1 , than previously reported for non‐additive‐utilizing solutions of this promising material. With extended full cell cycling, we demonstrate the importance of buffer selection and pH when using the Fumasep E‐620(K) membrane. Finally, we expand the pH operation range of CrPDTA to pH 7, which when cycled at 100 mA cm −2 against a ferrocyanide posolyte demonstrated excellent coulombic efficiencies >99.7% and energy efficiencies >87%, while operating at almost 700 mV more negative than the thermodynamic hydrogen evolution window.

Chemistry↗
DOE OSTI2019

Correlations far from equilibrium in charged strongly coupled fluids subjected to a strong magnetic field

Within a holographic model, we calculate the time evolution of 2-point and 1-point correlation functions (of selected operators) within a charged strongly coupled system of many particles. That system is thermalizing from an anisotropic initial charged state far from equilibrium towards equilibrium while subjected to a constant external magnetic field. One main result is that thermalization times for 2-point functions are significantly (approximately three times) larger than those of 1-point functions. Magnetic field and charge amplify this difference, generally increasing thermalization times. However, there is also a competition of scales between charge density, magnetic field, and initial anisotropy, which leads to an array of qualitative changes on the 2- and 1-point functions. There appears to be a strong effect of the medium on 2-point functions at early times, but approximately none at later times. At strong magnetic fields, an apparently universal thermalization time emerges, at which all 2-point functions appear to thermalize regardless of any other scale in the system. Hence, this time scale is referred to as saturation time scale. As extremality is approached in the purely charged case, 2- and 1-point functions appear to equilibrate at infinitely late time. We also compute 2-point functions of charged operators. Our results can be taken to model thermalization in heavy ion collisions, or thermalization in selected condensed matter systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Dynamic symmetries and quantum nonadiabatic transitions

Kramers degeneracy theorem is one of the basic results in quantum mechanics. According to it, the time-reversal symmetry makes each energy level of a half-integer spin system at least doubly degenerate, meaning the absence of transitions or scatterings between degenerate states if the Hamiltonian does not depend on time explicitly. Here we generalize this result to the case of explicitly time-dependent spin Hamiltonians. We prove that for a spin system with the total spin being a half integer, if its Hamiltonian and the evolution time interval are symmetric under a specifically defined time reversal operation, the scattering amplitude between an arbitrary initial state and its time reversed counterpart is exactly zero. Lastly, we also discuss applications of this result to the multistate Landau–Zener (LZ) theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Radiation driven diffusion in γU-Mo

A monolithic fuel design based on a U-Mo alloy has been selected as the fuel type for conversion of the United States High-Performance Research Reactors (HPRRs). A critical phenomenon of interest with U-Mo monolithic fuel is the large amount of swelling that takes place during operation, particularly at high fission densities. The accurate prediction of fuel evolution under irradiation requires implementation of correct thermodynamic and kinetic properties into mesoscale and continuum level fuel performance modeling codes. One such property where there exists incomplete data is the diffusion of relevant species under irradiation. Fuel performance swelling predictions rely on an accurate representation of diffusion in order to determine the rate of fission gas swelling and the local microstructural evolution. In this work, we present molecular dynamics simulations of the radiation driven diffusion of U, Mo and Xe in U-Mo nuclear fuels. Diffusion coefficients for each species are determined over a range of temperatures and compositions. In this work, updated diffusion coefficients are presented that are applicable under irradiation that incorporate both intrinsic and radiation driven diffusion.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Damage tolerance in the graphite cores of UK power reactors and implications for new build

The United Kingdom has been operating graphite-moderated gas-cooled commercial nuclear power reactors for more than 60 years. Both Generation I Magnox reactors and Generation II Advanced Gas-cooled Reactors have operated beyond their nominal design lifetimes and the safety cases for continued operation have had to address the issue of damage tolerance of the graphite cores. This review describes the designs of the reactors and the methodologies employed for their assessment. Emerging issues arising from extended operation and ageing of the cores are discussed together with the evolution of assessment methodologies to address predicted and observed damage. The UK nuclear regulator perspective is summarised and some conclusions are drawn on the implications for new build.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Nanopolysaccharide Builder: A User-Friendly Tool for Atomistic Models of Polysaccharide-Based Nanostructures

Here, we introduce Nanopolysaccharide Builder (NPB), a user-friendly software tool designed to construct polysaccharide nanostructures─mainly those based on cellulose, chitin, and chitosan─using experimental data or user-defined parameters. NPB enables the generation of cellulose and chitin allomorphs with customizable biochemical topologies and also facilitates the construction of large bundles that replicate nanostructures found in biological support systems, including plant cell walls and arthropod cuticles. The software outputs atomic Cartesian coordinates in Protein Data Bank (PDB) format and also provides atom connectivity files in PSF and PARM formats, ensuring seamless integration with major molecular dynamics (MD) engines such as NAMD, CHARMM, GROMACS, AMBER, OpenMM, and LAMMPS. Built on an interactive visualization framework, NPB features a graphical user interface (GUI) and supports both macOS and Linux operating systems. By enabling detailed atomic-scale studies of polysaccharide evolution in extracellular matrices and cell walls of algae, bacteria, fungi, and plants, NPB is poised to advance AI-guided research in sustainable chemical development and biomass utilization.

Wan, Zhangmin [Univ. of British Columbia, Vancouve↗
DOE OSTI2020

Electrolyte Engineering for Efficient Electrochemical Nitrate Reduction to Ammonia on a Titanium Electrode

Nitrates from agricultural runoff and industrial waste streams are a notorious waste product and hazardous pollutant. Traditional electrochemical water remediation approaches aim to solve this problem by converting nitrates to environmentally benign N 2 while minimizing the production of environmentally hazardous side products such as ammonia and nitrous oxide in a process known as “denitrification”. We modify this concept and outline an opportunity to optimize the conversion of nitrates into ammonia, which is also a key commodity product used as a fertilizer, potential fuel, and chemical precursor. The electrochemical conversion of nitrates to ammonia recycles the fixed nitrogen and offers an appealing and supplementary alternative to the energy- and resource-intensive Haber-Bosch process. In this study, we investigated the effect of varying electrochemical conditions (pH, nitrate concentration, and applied potential) on the selective reduction of nitrate to ammonia at a titanium cathode. We observed that high concentrations of both protons and nitrate ions are needed to achieve high selectivity, reaching a peak of 82% Faradaic efficiency to ammonia at an applied potential of -1 V versus RHE and a partial current density to NH 3 of -22 mA/cm 2 , using 0.4 M [NO 3 – ] at pH ~0.77. The Ti electrode, as a poor hydrogen evolution catalyst with notable corrosion resistance, provides a large window of operating conditions to achieve high selectivity in the reduction of nitrate anions. Stability of the system was evaluated, and we found a high Faradaic efficiency throughout the course of an 8 h experiment. After electrochemical testing, titanium hydride was observed at the cathode surface. We also show a preliminary technoeconomic study, indicating that it may be feasible to employ an electrochemical strategy for the production of ammonium nitrate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Deep learning-based segmentation of lithium-ion battery microstructures enhanced by artificially generated electrodes

Accurate 3D representations of lithium-ion battery electrodes, in which the active particles, binder and pore phases are distinguished and labeled, can assist in understanding and ultimately improving battery performance. Here, we demonstrate a methodology for using deep-learning tools to achieve reliable segmentations of volumetric images of electrodes on which standard segmentation approaches fail due to insufficient contrast. We implement the 3D U-Net architecture for segmentation, and, to overcome the limitations of training data obtained experimentally through imaging, we show how synthetic learning data, consisting of realistic artificial electrode structures and their tomographic reconstructions, can be generated and used to enhance network performance. We apply our method to segment x-ray tomographic microscopy images of graphite-silicon composite electrodes and show it is accurate across standard metrics. We then apply it to obtain a statistically meaningful analysis of the microstructural evolution of the carbon-black and binder domain during battery operation.

25 ENERGY STORAGE↗
DOE OSTI2014

Fast camera studies at an electron cyclotron resonance table plasma generator

A simple table-size ECR plasma generator operates in the ATOMKI without axial magnetic trap and without any particle extraction tool. Radial plasma confinement is ensured by a NdFeB hexapole. The table-top ECR is a simplified version of the 14 GHz ATOMKI-ECRIS. Plasma diagnostics experiments are planned to be performed at this device before installing the measurement setting at the “big” ECRIS. Recently, the plasma generator has been operated in pulsed RF mode in order to investigate the time evolution of the ECR plasma in two different ways. (1) The visible light radiation emitted by the plasma was investigated by the frames of a fast camera images with 1 ms temporal resolution. Since the visible light photographs are in strong correlation with the two-dimensional spatial distribution of the cold electron components of the plasma it can be important to understand better the transient processes just after the breakdown and just after the glow. (2) The time-resolved ion current on a specially shaped electrode was measured simultaneously in order to compare it with the visible light photographs. The response of the plasma was detected by changing some external setting parameters (gas pressure and microwave power) and was described in this paper.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

A high-sensitivity push-pull magnetometer

We describe our approach to atomic magnetometry based on the push-pull optical pumping technique. Cesium vapor is pumped and probed by a resonant laser beam whose circular polarization is modulated synchronously with the spin evolution dynamics induced by a static magnetic field. The magnetometer is operated in a phase-locked loop, and it has an intrinsic sensitivity below 20fT/√(Hz), using a room temperature paraffin-coated cell. We use the magnetometer to monitor magnetic field fluctuations with a sensitivity of 300fT/√(Hz)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Assessment of Carbonated Brine Injection as Low-risk Strategy for Geologic Carbon Storage

The main objective of this early-phase research was to evaluate the techno-economic feasibility and risk associated with combined brine and CO 2 storage in SWD wells using brine dissolution in the North Dakota portion of the Williston Basin. Three simulation studies were conducted to investigate: (1) CO 2 phases at different conditions, (2) wellbore compatibility, and (3) long-term storage fate in reservoir. (1) A simple reservoir model and injection simulations were created using data to represent the BEST (brine extraction and storage test) site, an operational SWD facility located near Watford City, North Dakota. The pressure evolution caused by CO 2 comingled in produced water injectate in a layer cake reservoir was then modeled while tracking aqueous CO 2 throughout the project. The salinity of the injection water, the salinity of the reservoir brine, and the amount of dissolved CO 2 comingled in the injection water were varied. (2) A wellbore corrosion model was performed using the CO 2 concentrations selected based on the reservoir modeling to examine the carbonated produced water impact on wellbore. (3) Reactive transport modeling was conducted with the optimal CO 2 concentration for this injection site to study the rock-fluid interactions and CO 2 fate in the reservoir. Results suggest that CO 2 dissolved in produced water can be injected without appreciably increasing subsurface pressure or leakage risks. Pressure buildup was found to vary with salinity but not with CO 2 mass fraction. Simulation results show that lower CO 2 percent mass fraction leads to a higher amount of CO 2 that can be dissolved at a higher injection salinity. Furthermore, the long-term goal of dissolution trapping in a traditional carbon storage project is accomplished from the start, mitigating risks associated with potential migration of buoyant CO 2 , so long as the reservoir pressure and temperature are used to determine the maximum mass fraction of the dissolved CO 2 .

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Screening aqueous organic redox couples for spontaneous hydrogen generation on catalysts

Two low-cost redox couples with near neutral or alkaline pH - 7,8-dihydroxyphenazine-2-sulfonic acid (DHPS) and chrome chelated ethylenediaminetetraacetic acid (Cr-EDTA) with ammonia – are identified to generate hydrogen evolution spontaneously on Pt/C catalysts. Cr-EDTA redox couple has two times higher hydrogen evolution rate than that of DHPS, and the charged Cr-EDTA molecules are fully utilized to generate hydrogen gas, while ~ 50% of DHPS molecules are utilized to produce hydrogen spontaneously on Pt/C catalysts. The Cr-EDTA electrolyte enables cost reduction by allowing cheap raw material of Cr and corrosion resistant alloy instead of costly superalloy for catalytic reactor systems. Furthermore, the Cr-EDTA with ammonia as a negolyte for flow batteries was validated to suppress hydrogen evolution side reaction, reach 99% of coulombic efficiency in flow cell operation paired with Fe(CN)6 redox couple near neutral pH.

08 HYDROGEN↗
DOE OSTI2015

Performance improvement and human resources transition management in D and D projects - 15440

Power generation and other nuclear facilities production is mainly characterized by stable working environment, with continuous efforts for improvement based on previous achievements, constant workload, foreseeable and established organizational hierarchy; and generation of cash. In contrary to normal production - when phasing down the facility for final shutdown, decommissioning and dismantling - one has to manage a new, highly dynamic working environment, with decreasing workload, new skills required; and consumption of cash. The key to successful transition is to recognize the need for establishing an explicit performance improvement program with an effective change management process in order to address this profound evolution as early as possible in the project. AREVA owns and operates large nuclear material processing facilities. This includes the responsibility for their end of life up to final Decommissioning and Dismantling (D and D). Faced with this transitional challenge, AREVA took example from well-known management methods (Lean Management, 6 Sigma, TPM...) successfully applied by the non-nuclear production industry with the corresponding philosophy of Operational Excellence. These methods were adapted to the specifics of nuclear decommissioning projects. Furthermore, specific computerized tools were developed to assist managers in implementing measures for re-deploying, re-training and re-qualifying personnel as well as re-organizing the work structure while maintaining safety and social consensus. Significant improvements in the dismantling works as well as in the management of generated waste were achieved early after start of the implementation of the performance improvement programs. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

A Methodology for defining intermediate level waste package characteristics that ensure criticality safety in a geological disposal facility - 14599

Radioactive Waste Management (RWM) is responsible for implementing geological disposal of the UK's higher activity radioactive wastes. These wastes include fissile nuclides and, therefore, demonstration of the criticality safety of the wastes under disposal conditions forms an important component of RWM's disposal system safety case. The basis for ensuring criticality safety of intermediate level waste (ILW) packages is to specify controls on the fissile material content of individual packages through the application of deterministic criticality safety assessments (CSAs). The approach is defined and controlled through RWM's Disposability Assessment process, which aims to ensure that: criticality is prevented during waste package transport to a GDF; the risk of criticality is tolerable and as low as reasonably practicable (ALARP) during GDF operations; and the likelihood and consequences of criticality arising from the evolution of waste packages after GDF closure are low. The most restrictive phase determines the package fissile material limit and, until now, in many cases the GDF post-closure phase has provided the most restrictive limit. Currently, the GDF post-closure limits are derived deterministically using highly stylised and conservative assumptions about fissile material accumulations occurring on very long timescales into the future. RWM, waste producers and regulators do not currently consider this approach to be yielding an appropriate balance of risk. Therefore, RWM is modifying the process for setting fissile material limits on ILW packages by making use of the outcomes of its recent research projects to establish the likelihood of post-closure criticality in a GDF and the consequences of hypothetical post-closure criticality events (presented in companion papers). This paper presents the revised methodology, which is based on the requirement that criticality in a GDF can be demonstrated to be of low and tolerable consequences with regard the performance of a GDF. A probabilistic 'low-likelihood package envelope' is proposed that establishes the packaging and disposal facility conditions under which post-closure criticality is considered to be of low likelihood and low consequence. The bounding conditions for establishing the extent of the package envelope have been evaluated through application of the methodologies and models developed in RWM's Likelihood of Criticality research project. It is expected that the vast majority of ILW packages would meet the package envelope requirements. The methodology also allows the use of other options, such as deterministic CSAs, for waste packages that fall outside the low-likelihood package envelope. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

BigPanDA monitoring system evolution in the ATLAS Experiment

Monitoring services play a crucial role in the day-to-day operation of distributed computing systems. The ATLAS Experiment at LHC uses the Production and Distributed Analysis workload management system (PanDA WMS), which allows a million computational jobs to run daily at over 170 computing centers of the WLCG and opportunistic resources, utilizing 600k cores simultaneously on average. The BigPanDA monitor is an essential part of the monitoring infrastructure for the ATLAS Experiment that provides a wide range of views, from top-level summaries to a single computational job and its logs. Over the past few years of the PanDA WMS advancement in the ATLAS Experiment, several new components were developed, such as Harvester, iDDS, Data Carousel, and Global Shares. Due to its modular architecture, the BigPanDA monitor naturally grew into a platform where the relevant data from all PanDA WMS components and accompanying services are accumulated and displayed in the form of interactive charts and tables. Moreover the system has been adopted by other experiments beyond HEP. In this paper we describe the evolution of the BigPanDA monitor system, the development of new modules, and the integration process into other experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗