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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Enhanced Diffusive Transport in Fluctuating Porous Media

Mass transport within porous structures is a ubiquitous process in biological, geological, and technological systems. Despite the importance of these phenomena, there is no comprehensive theory that describes the complex and diverse transport behavior within porous environments. While the porous matrix itself is generally considered a static and passive participant, many porous environments are in fact dynamic, with fluctuating walls, pores that open and close, and dynamically changing cross-links. While diffusion has been measured in fluctuating structures, notably in model biological systems, it is rarely possible to isolate the effect of fluctuations because of the absence of control experiments involving an identical static counterpart, and it is generally impossible to observe the dynamics of the structure. In this paper, we present a direct comparison of the diffusion of nanoparticles of various sizes within a trackable, fluctuating porous matrix and a geometrically equivalent static matrix, in conditions spanning a range of regimes from obstructed to highly confined. The experimental system comprised a close-packed layer of colloidal spheres that were either immobilized to a planar surface or allowed to fluctuate locally, within the space defined by their nearest neighbors. Interestingly, the effective long-time diffusion coefficient was approximately 35–65% greater in the fluctuating porous matrix than in the static one (depending on the size of the nanoparticle probes), regardless of the geometric regime. This was explained by considering the enhancing effects of matrix fluctuations on the short-time diffusion coefficient and cooperative “gate-opening” motions of matrix particles and nanoparticle probes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Solvent Dynamics Are Critical to Understanding Carbon Dioxide Dissolution and Hydration in Water

Simulations of carbon dioxide (CO 2 ) in water may aid in understanding the impact of its accumulation in aquatic environments and help advance technologies for carbon capture and utilization (via, e.g., mineralization). Quantum mechanical (QM) simulations based on static molecular models with polarizable continuum solvation poorly reproduce the energetics of CO 2 hydration to form carbonic acid in water, independent of the level of QM theory employed. Only with density-functional-theory-based molecular dynamics and rare-event sampling, followed by energy corrections based on embedded correlated wavefunction theory (in conjunction with density functional embedding theory), can a close agreement between theory and experiment be achieved. Such multilevel simulations can serve as benchmarks for simpler, less costly models, giving insight into potential errors of the latter. The strong influence of sampling/averaging over dynamical solvent configurations on the energetics stems from the difference in polarity of both the transition state and product (both polar) versus the reactant (nonpolar). When a solute undergoes a change in polarity during reaction, affecting its interaction with the solvent, careful assessment of the energetic contribution of the solvent response to this change is critical. Here, we show that static models (without structural sampling) that incorporate three explicit water molecules can yield far superior results than models with more explicit water molecules because fewer water molecules yield less configurational artifacts. Static models intelligently incorporating both explicit (molecules directly participating in the reaction) and implicit solvation, along with a proper QM theory, e.g., CCSD(T) for closed-shell systems, can close the accuracy gap between static and dynamic models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Modeling the contributions to acoustic nonlinearity from complex dislocation networks using 3D dislocation dynamics

Nonlinear ultrasonic parameters are highly sensitive to microstructural features that affect macroscale material behavior, providing a nondestructive means to characterize their evolution. Although dislocations are known to be a strong source of acoustic nonlinearity, establishing quantitative links between the acoustic nonlinearity parameter (β), measured via Second Harmonic Generation, and dislocation morphology—such as dislocation length and density—remains an open challenge. This work advances the numerical modeling of dislocation–β relationships using 3D dislocation dynamics (DD) simulations in two approaches: a “static” method computing strain and stress fields from dislocation configurations in the absence of external loading, and a “quasi-static” method to estimate β from the curvature of dislocation lines under applied load. First, the static method is combined with finite element analysis to investigate a recent assertion that heterogeneous initial strain fields can induce higher harmonic generation in a linear elastic medium; the present results do not corroborate this outcome. Then, the quasi-static method is applied to multiple-dislocation scenarios through parametric studies, revealing behaviors not predicted by analytical models, such as the competing interactions of edge and screw dislocations and the significant influence of applied stress on β. Finally, the simulations are used to model SHG experimental results and validate the hypothesis that β can decrease during plastic deformation, despite increasing dislocation density. As the DD code used here is open-source, it provides a practical platform for future investigation into microstructure–β relationships important to the interpretation of SHG results.

Materials science↗
DOE OSTI2023

Contributions to regional precipitation change and its polar-amplified pattern under warming

Abstract The polar regions are predicted to experience the largest relative change in precipitation in response to increased greenhouse-gas concentrations, where a substantial absolute increase in precipitation coincides with small precipitation rates in the present-day climate. The reasons for this amplification, however, are still debated. Here, we use an atmospheric energy budget to decompose regional precipitation change from climate models under greenhouse-gas forcing into contributions from atmospheric radiative feedbacks, dry-static energy flux divergence changes, and surface sensible heat flux changes. The polar-amplified relative precipitation change is shown to be a consequence of the Planck feedback, which, when combined with larger polar warming, favors substantial atmospheric radiative cooling that balances increases in latent heat release from precipitation. Changes in the dry-static energy flux divergence contribute modestly to the polar-amplified pattern. Additional contributions to the polar-amplified response come, in the Arctic, from the cloud feedback and, in the Antarctic, from both the cloud and water vapor feedbacks. The primary contributor to the intermodel spread in the relative precipitation change in the polar region is also the Planck feedback, with the lapse rate feedback and dry-static energy flux divergence changes playing secondary roles. For all regions, there are strong covariances between radiative feedbacks and changes in the dry-static energy flux divergence that impact the intermodel spread. These results imply that constraining regional precipitation change, particularly in the polar regions, will require constraining not only individual feedbacks but also the covariances between radiative feedbacks and atmospheric energy transport.

Bonan, David B. (ORCID:0000000338676009)↗
DOE OSTI2024

Towards Polymer-Free, Femto-Second Laser-Welded Glass/Glass Solar Modules

This project explores the use of femto-second (fs) lasers to form glass-to-glass welds for hermetically sealed, polymer-free solar modules. Low iron solar glass coupons were welded together without the use of glass filler using a fs laser with dedicated optics to elongate the focal plane parallel to the incident beam. The resulting welds were then stress tested to failure to reveal the critical stress intensity factor, KIc. These values were used in a structural mechanics model of a 1 m by 2 m glass/glass module under a simulated static load test. The results show that the fs laser welds are strong enough for a suitably framed module to pass the IEC 61215 static load test with a load of 5400 Pa. Key to this finding is that the module must be framed and braced, and the glass must be ribbed to allow pockets for the cells and welds inside the border of the module. The result is a module design that is completely polymer-free, hermetically sealed, has improved thermal properties, and is easily recycled.

femto-second laser welded↗
DOE OSTI2021

Parameter Reduction of Composite Load Model Using Active Subspace Method

Over the past decades, the increasing penetration of distributed energy resources (DERs) has dramatically changed the power load composition in the distribution networks. The traditional static and dynamic load models can hardly capture the dynamic behavior of modern loads especially for fault-induced delayed voltage recovery (FIDVR) events. Thus, a more comprehensive composite load model with combination of static load, different types of induction motors, single-phase A/C motor, electronic load and DERs has been proposed by Western Electricity Coordinating Council (WECC). However, due to the large number of parameters and model complexity, the WECC composite load model (WECC CMLD) raises new challenges to power system studies. To overcome these challenges, in this paper, a cutting-edge parameter reduction (PR) approach for WECC CMLD based on active subspace method (ASM) is proposed. Firstly, the WECC CMLD is parameterized in a discrete-time manner for the application of the proposed method. Then, parameter sensitivities are calculated by discovering the active subspace, which is a lower-dimensional linear subspace of the parameter space of WECC CMLD in which the dynamic response is most sensitive. The interdependency among parameters can be taken into consideration by our approach. Finally, the numerical experiments validate the effectiveness and advantages of the proposed approach for WECC CMLD model.

active subspace↗
DOE OSTI2024

Light-induced magnetization from magnonic rectification

Rectification describes the conversion of an oscillating field or current into a quasi-static one and the most basic example of a rectifier is an AC/DC converter in electronics. This principle can be translated to nonlinear light-matter interactions, where optical rectification converts the oscillating electric field component of light into a quasi-static polarization and phononic rectification converts a lattice vibration into a quasi-static structural distortion. Here, we present a rectification mechanism for magnetism that we call magnonic rectification, where a spin precession is converted into a quasi-static magnetization through the force exerted by a coupled chiral phonon mode. The transiently induced magnetic state resembles that of a canted antiferromagnet, opening an avenue toward creating dynamical spin configurations that are not accessible in equilibrium.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Tailored ultrasound propagation in microscale metamaterials via inertia design

The quasi-static properties of micro-architected (meta)materials have been extensively studied over the past decade, but their dynamic responses, especially in acoustic metamaterials with engineered wave propagation behavior, represent a new frontier. However, challenges in miniaturizing and characterizing acoustic metamaterials in high-frequency (megahertz) regimes have hindered progress toward experimentally implementing ultrasonic-wave control. Here, we present an inertia design framework based on positioning microspheres to tune responses of 3D microscale metamaterials. We demonstrate tunable quasi-static stiffness by up to 75% and dynamic longitudinal-wave velocities by up to 25% while maintaining identical material density. Using noncontact laser-based dynamic experiments of tunable elastodynamic properties and numerical demonstrations of spatio-temporal ultrasound wave propagation, we explore the tunable static and elastodynamic property relation. This design framework expands the quasi-static and dynamic metamaterial property space through simple geometric changes, enabling facile design and fabrication of metamaterials for applications in medical ultrasound and analog computing.

42 ENGINEERING↗
DOE OSTI2021

HiPACE++ v0.1

Hipace++ is the new implementation of the DESY-LBNL code Hipace (not distributed nor licensed) for plasma acceleration, relying on the quasi-static particle-in-cell (PIC) method, enabling fast and accurate simulations of plasma accelerators for problems satisfying the quasi-static approximation. Plasma acceleration is a priority in the ATAP division, and such problems represent a wide range of parameters. Hipace++ is an HPC (high-performance computing) code running on supercomputers and it provides the first efficient implementation of the quasi-static PIC method on Graphic Processing Units (GPU), showing 10x speedup and using much less resources than CPU implementations for production simulations. It currently runs on Nvidia GPUs and will ultimately be portable to more accelerated HPC platforms. The porting strategy is novel, and can be adapted to other flavors of quasi-static PIC. Besides, Hipace++ aims at using mesh refinement for higher efficiency, thus enabling simulations unfeasible today. For this purpose, Hipace++ depends on the open-source library AMReX (Adaptive Mesh Refinement at EXascale) developed at LBNL.

Vay, Jean-Luc↗
DOE OSTI2025

$2+1$ dimensional Floquet systems and lattice fermions: Exact bulk spectral equivalence

A connection has recently been proposed between periodically driven systems known as Floquet insulators in continuous time and static fermion theories in discrete time. This connection has been established in a (1+1) ( 1 + 1 ) -dimensional free theory, where an explicit mapping between the spectra of a Floquet insulator and a discrete-time Dirac fermion theory has been formulated. Here we investigate the potential of static discrete-time theories to capture Floquet physics in higher dimensions, where so-called anomalous Floquet topological insulators can emerge that feature chiral edge states despite having bulk bands with zero Chern number. Starting from a particular model of an anomalous Floquet system, we provide an example of a static discrete-time theory whose bulk spectrum is an exact analytic match for the Floquet spectrum. The spectra with open boundary conditions in a particular strip geometry also match up to finite-size corrections. However, the models differ in several important respects. The discrete-time theory is spatially anisotropic, so that the spectra do not agree for all lattice terminations, e.g. other strip geometries or on half spaces. This difference can be attributed to the fact that the static discrete-time model is quasi-one-dimensional in nature and therefore has a different bulk-boundary correspondence than the Floquet model.

Iadecola, Thomas (ORCID:0000000251456441)↗
DOE OSTI2021

Room Return Path Sensitivity

Standard practice for HVAC return design has evolved from running a dedicated return to each room with a supply, to systems with returns in more centrally located areas of the home with jump ducts, transfer grilles, or simply door undercuts used as return air pathways from isolated rooms. In these latter systems, hallways and stairwells act as large open ducts for conveying air back to a single (or sometimes multiple) central return. When partition doors to an isolated room are closed, the return airflow resistance goes up, significantly impacting airflow balance if an adequate relief pathway is not installed. Airflow imbalances can lead to comfort and building durability issues and increased envelope leakage. To combat this, some jurisdictions have requirements for return air pathways. The supply system topology–or layout–impacts the airflow balance stability in response to adjustments of return pathway resistances. Branching supply topologies typically have reduced static pressure after each split. The static pressure at the final split will be lower than the primary supply plenum. Because of this, if there is a restriction in a room’s return path, supply airflow will tend to redistribute to adjacent ducts at the end of the branch. A properly designed trunk and branch supply system can effectively equalize static pressure by reducing the cross sectional area after each takeoff . Maintaining static pressure within the trunk will reduce the system’s sensitivity to changes in return paths. However, in practice, it is difficult to design and time consuming to install a complex supply plenum. Velocity effects and poor takeoff placement also impact airflow balance. This report considers return systems in three main categories: distributed, with a return duct to each room; multiple central, with one return grille on each floor of a home; and single central, with a single return grille located near the air handling unit. Three supply categories are also considered: radial splitter box, trunk and branch, and home-run with all ducts connecting directly to a central manifold.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Software Verification Toolkit (SVT): Survey on Available Software Verification Tools and Future Direction

Writing software is difficult. However, writing complex, well tested and designed, and functionally correct software is incredibly difficult. An entire field of study is devoted to the validation and verification of software to address this problem, and in this paper we analyze the landscape of currently available third party software. We have divided our analyses into three separate subsections with regards to software validation: formal methods, static analysis, and test generation. Formal verification is the most complex method in which to validate software correctness, but also the most thorough as it truly validates the mathematical validity of the source code. Static analysis generally is relegated to abstract syntax tree traversal techniques to find errors related to faulty software such as memory leaks or stack overflow issues. Automatic test generation is similar in implementation to static analysis, but pushes a bit further in verifying the boundedness of function inputs and outputs with regards to annotated or parsed criteria. The crux of this report is to analyze and describe the software tools that implement these techniques to validate and verify software. Pros and cons related to installation, utilization, and capabilities of the frameworks are described, and reproducible examples are provided with a focus on usability. The initial survey concluded that the most interesting tools of note are Z3, Isabelle/HOL, and TLA+ with regards to formal verification; and Infer, Frama-C, and SonarQube with regards to static analysis. With these tools in mind, a final conjecture is provided that describes future avenues of utilizing these tools for developing a verification framework to assist in validating existing software at Sandia National Laboratories.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Investigating Core Gaps and the Development of Subcomponent Validation Methods for Wind Turbine Blades: Preprint

Core gaps are a common manufacturing defect observed in wind blade composite sandwich constructions, which occur when sheets of core material are not properly butted up against each other in the mold. The aim of this study was to characterize core gaps in composite sandwich constructions at the coupon scale. This was to gain an initial understanding of the defect before developing appropriate methodologies for more complex subcomponents as part of a much broader wind blade structural validation and damage tolerance program. Long beam flexure in 4-point-bending was chosen as the most appropriate loading scenario. Beam specimens were characterized with and without 10 mm core gaps in fiberglass/balsa sandwich beams. The core gaps were characterized with two separate resin systems; a Hexion epoxy and Arkema's Elium resins system (a novel, infusible thermoplastic). Results showed that the Elium beams without the core gaps were had a 15% lower static strength than their epoxy counterparts. The introduction of the core gap to the epoxy beams reduced their static strength by 35%. The Elium beams, however, exhibited negligible strength reductions with the inclusion of the core gap. Overall, this characterization study provided pertinent information with regards to core gaps as a manufacturing defect to allow for continued development of damage tolerance and subcomponent validation methodologies with the inclusion of manufacturing defects.

17 WIND ENERGY↗
DOE OSTI2024

The Urban Deployment Model: A Toolset for the Simulation and Performance Characterization of Radiation Detector Deployments in Urban Environments

Static and mobile radiation detectors can be deployed in urban environments for a range of nuclear security applications, including radiological source search-and-tracking scenarios. Modeling detector performance for such applications is challenging, as it does not depend solely on the detector capabilities themselves. Many factors must be taken into consideration, including specific source and background signatures, the topology and constraints of the deployment environment, the presence of nuisance sources, and whether detectors are mobile or static. When considering the simultaneous deployment of multiple, heterogeneous detectors, assessment of the system-wide performance requires the simulation of the individual detectors, and a system-level analysis of the detection performance. In radiological source search-and-tracking scenarios, performance is mostly dominated by the probability of encounter, which depends on the specifics of a given deployment, e.g., static vs. mobile detectors or a combination of both modalities, the number of detectors deployed, the dynamic vs. static setting of false alarm rates, and individual vs. networked operation. The Urban Deployment Model (UDM) toolset was specifically developed to cover the gap in the available generic frameworks for the simulation of radiation detector deployments at city scales. UDM provides a unified and modular framework to support the simulation and performance characterization of heterogeneous detector deployments in urban environments. This paper presents the key components along the UDM workflow.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2021

Designing for Supply and Return Air System Interaction in Residential Buildings

Standard practice for HVAC return design has evolved from running a dedicated return to each room with a supply, to systems with returns in more centrally located areas of the home with jump ducts, transfer grilles, or simply door undercuts used as return air pathways from isolated rooms . In these latter systems, hallways and stairwells act as large open ducts for conveying air back to a single (or sometimes multiple) central return. When partition doors to an isolated room are closed, the return airflow resistance goes up, significantly impacting airflow balance if an adequate relief pathway is not installed. Airflow imbalances can lead to comfort and building durability issues and increased envelope leakage. To combat this, some jurisdictions have requirements for return air pathways. The supply system topology – or layout - impacts the airflow balance stability in response to adjustments of return pathway resistances. Branching supply topologies typically have reduced static pressure after each split. The static pressure at the final split will be lower than the primary supply plenum. Because of this, if there is a restriction in a room’s return path, supply airflow will tend to redistribute to adjacent ducts at the end of the branch. A properly designed trunk and branch supply system can effectively equalize static pressure by reducing the cross sectional area after each takeoff . Maintaining static pressure within the trunk will reduce the system’s sensitivity to changes in return paths. However, in practice, it is difficult to design and time consuming to install a complex supply plenum. Velocity effects and poor takeoff placement also impact airflow balance. This fact sheet considers return systems in three main categories: distributed, with a return duct to each room; multiple central, with one return grille on each floor of a home; and single central, with a single return grille located near the air handling unit. Three supply categories are also considered: radial splitter box, trunk and branch, and home-run with all ducts connecting directly to a central manifold. A complete description of the modeling work and results can be found in the companion technical report.

buildings↗
DOE OSTI2023

Electrostatic charge buildup and electrostatic discharge monitoring system and method

A system for monitoring electrostatic charge buildup and electrostatic discharge (ESD) remotely comprises a plurality of electrostatic charge measurement units and a data acquisition device. Each electrostatic charge measurement unit includes a primary charge plate, a static sensor device, a secondary charge plate, and a shielded cable. The primary charge plate is positioned proximal to an object. The static sensor device includes an input sensor at which an electric voltage is measured and outputs an electronic signal whose level varies according to the measured electric voltage. The secondary charge plate is positioned in proximity to the input sensor of the static sensor device. The shielded cable includes an inner conductor electrically connected to the primary charge plate and the secondary charge plate and an outer conductor electrically connected to electrical ground. The data acquisition device receives the electronic signal from the static sensor device of each electrostatic charge measurement unit.

Schantz, Eric T.↗
DOE OSTI2020

Long-term increase in atmospheric stagnant conditions over northeast Asia and the role of greenhouse gases-driven warming

We report the recent trend in the air quality degradation of urban South Korea prompted the authors to examine the long-term changes in the near-surface wind speed and its link with the lower atmospheric circulation, using modern reanalysis datasets. Analyses based on JRA-55 data show a negative correlation between near-surface wind speed and static stability over the Yellow Sea and the western part of South Korea. Near-surface wind speed shows a clear declining trend accompanied by increased static stability, while its negative correlation strengthened recently. Further investigations using CMIP5 single-forcing experiments suggest that global warming because of anthropogenic greenhouse gases probably increased static stability in the lower troposphere, implying further atmospheric stagnant conditions in the future.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

The Effect of the SEI Layer Mechanical Deformation on the Passivity of a Si Anode in Organic Carbonate Electrolytes

The solid electrolyte interphase (SEI) on a Si negative electrode in carbonate-based organic electrolytes shows intrinsically poor passivating behavior, giving rise to unsatisfactory calendar life of Li-ion batteries. Moreover, mechanical strains induced in the SEI due to large volume changes of Si during charge-discharge cycling could contribute to its mechanical instability and poor passivating behavior. This study elucidates the influence that static mechanical deformation of the SEI has on the rate of unwanted parasitic reactions at the Si/electrolyte interface as a function of electrode potential. Further, the experimental approach involves the utilization of Si thin-film electrodes on substrates with disparate elastic moduli, which either permit or suppress the SEI deformation in response to Si volume changes upon charging-discharging. We find that static mechanical stretching and deformation of the SEI results in an increased parasitic electrolyte reduction current on Si. Furthermore, attenuated total reflection and near-field Fourier-transform infrared nanospectroscopy reveal that the static mechanical stretching and deformation of the SEI fosters a selective transport of linear carbonate solvent through, and nanoconfinement within, the SEI. These, in turn, promote selective solvent reduction and continuous electrolyte decomposition on Si electrodes, reducing the calendar life of Si anode-based Li-ion batteries. Finally, possible correlations between the structure and chemical composition of the SEI layer and its mechanical and chemical resilience under prolonged mechanical deformation are discussed in detail.

25 ENERGY STORAGE↗