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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 OSTI2024

Coal-derived conductive pavement for winter de-icing: prototype, modeling, and simulation

Existing pavement de-icing methods result in high installation and maintenance costs, traffic delays, excessive weariness and corrosion, and negative environmental and safety impacts. To overcome these challenges, this paper presents an innovative pathway to designing and constructing smart self-heating pavements using a low-cost coal-char bearing asphalt material. The conductive asphalt incorporates coal char, i.e., a key byproduct of the coal pyrolysis process, into the Stone Mastic Asphalt (SMA) mixture. This asphalt containing coal-derived solid carbon exhibits highly tailorable electrical conductivity, satisfactory mechanical and thermophysical properties, and superior cost-efficiency as compared to other conductive pavement materials. The de-icing performance was also demonstrated by laboratory experiments on a bench-scale prototype. Furthermore, an efficient thermal network model was developed and validated by experiments to investigate the transient thermal behavior and energy performance of the Ohmic heating pavement system. Furthermore, the whole-year energy simulation case studies were conducted on a bridge pavement with an annual energy use of 24.6–1444.8 kWh/m 2 , showcasing its potential in field applications across cool humid, cold humid, and subarctic/arctic climate zones.

42 ENGINEERING↗
DOE OSTI2024

Improving and Automating Building Model Data Exchange

There are many instances throughout a project’s lifecycle where there arises a need for quick and accurate risk assessment of building designs. For example, an unexpected design change during construction may necessitate structural engineers to perform a seismic risk assessment on analytical models of the updated building design using high fidelity structural analysis software, such as ANSYS or Abaqus. However, the efficiency of such workflows often depends upon the interoperability of architectural design software and structural analysis software. When the quality of this interoperability is lacking or even non-existent, the efficiency of virtual engineering workflows is hampered, which increases project costs. A McGraw Hill industry survey of professional users of Building Information Modeling (BIM) technologies found that there is high demand for BIM interoperability for structural analysis, but that the value/difficulty ratio is currently too low for practical use. There have been efforts by the academic community to facilitate model data exchange between the architectural design and structural analysis domains, but such solutions have not been widely adopted by industry, face technical challenges, and oftentimes are limited in applicability for users of various BIM software. Therefore, INL is developing capabilities to improve, automate, and generalize model data exchange between architectural BIM software (e.g., Revit) and structural analysis software (e.g., SAP2000, ANSYS). The goal is to help expedite and automate as much of the pre-processing step for creating analytical models in finite element analysis software as reasonably as possible. Such a "BIM-to-FEA" conversion tool should provide direct benefit to end-users through accuracy, automation, quick turn-around, and wide applicability. To generalize the application of this BIM-to-FEA conversion tool and increase its useability among the many different commercial BIM software currently used by industry, the program is being developed with the concept of openBIM. OpenBIM is the application of non-proprietary, open data standards that allow for BIM model data exchange in a format that is accessible, retainable, and useable for all users. The most widely used open, non-proprietary data exchange format for BIM is the Industry Foundation Classes (IFC) schema. IFC is developed by buildingSMART international and is ISO certified (ISO 16739-1:2018). The BIM-to-FEA conversion tool is being developed for compatibility with typical commercial building designs of steel framed structures. The tool is currently capable of importing architectural BIM data of framed building structures, recognizing and extracting the aspects of the model that are required for structural analysis, adjusting the connectivity of frame members, and finally exporting to an analytical model stored in the IFC format. The exported IFC analytical model can then be imported into various openBIM compliant software, such as SAP2000. Such capabilities have already been tested on commercial software, as shown above, and continue to be improved. Work is underway to test the conversion on various commercial BIM software, develop a user-friendly interface, incorporate the program into the broader DeepLynx data warehouse project being developed by INL, and to eventually open-source the tool for the benefit of the community. Future development of the tool envisions the ability for efficient iterative risk assessment of generative building designs, all within a workflow utilizing open-source tools. One such open-source tool will be MOOSE, an advanced finite element analysis tool developed at INL. The conversion tool will also branch out from typical commercial building designs and will aim to incorporate nuclear construction. The aim will be to convert both structural and non-structural components of nuclear facilities, such as curved concrete containment structures and piping systems, respectively.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

The shard test and nanoporomechanics reverse classical paradigm of cement hydration being contractive

Le Chatelier in 1887 and Powers in 1947 demonstrated that the volume of nanoscale C-S-H (calcium silicate hydrate) particles formed during hydration is smaller than the combined volume of the reactants—the anhydrous Portland cement and water. Hydration has thus been considered as contractive. An experiment shows that the opposite is true above the nanoscale. The porous skeleton of cement paste expands as the growing C-S-H particles push each other apart, similar to crystal growth pressure. This is significant for high-performance concretes (HPC) with low water-cement ratios (w/c ≤ 0.4), where chemical self-desiccation lowers pore relative humidity by 40%, compared to just 1% in traditional concretes (w/c ≈ 0.5). Standard American Society for Testing and Materials (ASTM) C1608 tests, using 10 mm thick water-immersed specimens, show large shrinkage because the half-time of water ingress is many decades, unable to offset shrinkage-causing self-desiccation. The present experiment, using a laser microscopy-topography technique, proves the opposite—expansion, evidenced by measuring the length changes of water-immersed HPC shards 0.5 mm thick in which the diffusion halftime, only about one hour, allows continuous resaturation of pores, canceling self-desiccation. The faster diffusion (halftime of one hour) enables continuous pore resaturation, preventing shrinkage. When sealed with paraffin oil, the shards self-desiccate and shrink. These findings align with studies since 2015, showing that models excluding hydration expansion cannot fit test data across various specimen sizes and sealing conditions. The results suggest that standardized ASTM tests for the so-called chemical shrinkage in modern concretes with very low water-cement ratios are misleading and need revision.

Science & Technology - Other Topics↗
DOE OSTI2023

Experimenting in the cloud: The digital divide's impact on innovation

This paper builds on a recent National Science Foundation working paper that identified a strong association between cloud use and various types of innovation but did not consider whether 1) cloud adoption is a reliable indicator of the innovation orientation of a firm, or 2) cloud adoption enables various types of innovation. We estimate propensity score matching and endogenous treatment effect models to control for innovation orientation, producing evidence to test the second explanation. Here, findings support an enabling effect of the cloud on innovation providing concrete evidence of the adverse impact of the digital divide.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2026

Generalized parton distributions from symbolic regression

AI/ML informed Symbolic Regression is the next stage of scientific modeling. We utilize a highly customizable symbolic regression package “PySR” to model the x and t dependence of the flavor isovector combination Hu-d(x, t, ) at = 0. These PySR models were trained on GPD results provided by both Lattice QCD and phenomenological sources GGL, GK, and VGG. We demonstrate, for the first time, the consistency and systematic convergence of Symbolic Regression by quantifying the disparate models through their Taylor expansion coefficients. In addition to PySR penalizing models with higher complexity and mean-squared error, we implement schemes that test specific physics hypotheses, including force-factorized x and t dependence and Regge behavior in PySR GPDs. We show that PySR can identify factorizing GPD sources based on their response to the Force-Factorized model. Here, knowing the precise behavior of the GPDs, and their uncertainties in a wide range in x and t, crucially impacts our ability to concretely and quantitatively predict hadronic spatial distributions and their derived quantities.

Dotson, Andrew [New Mexico State University, Las C↗
NASA NTRS2004

Development of an LS-DYNA Model of an ATR42-300 Aircraft for Crash Simulation

This paper describes the development of an LS-DYNA simulation of a vertical drop test of an ATR42-300 twin-turboprop high-wing commuter-class airplane. A 30-ft/s drop test of this aircraft was performed onto a concrete impact surface at the FAA Technical Center on July 30, 2003. The purpose of the test was to evaluate the structural response of a commuter-class aircraft when subjected to a severe, but survivable, impact. The aircraft was configured with crew and passenger seats, anthropomorphic test dummies, forward and aft luggage, instrumentation, and onboard data acquisition systems. The wings were filled with approximately 8,700 lb. of water to represent the fuel and the aircraft weighed a total of 33,200 lb. The model, which consisted of 57,643 nodes and 62,979 elements, was developed from direct measurements of the airframe geometry, over a period of approximately 8 months. The seats, dummies, luggage, fuel, and other ballast were represented using concentrated masses. Comparisons were made of the structural deformation and failure behavior of the airframe, as well as selected acceleration time history responses.

Jackson, Karen E.↗
DOE OSTI2023

Space-Dependent Calculation of the Multiplicity Moments for Shells With the Inclusion of Scattering

In recent work, we extended the methodology of multiplicity counting in nuclear safeguards by elaborating the one-speed stochastic transport theory of the calculation of the so-called multiplicity moments, i.e., the factorial moments of the number of neutrons emitted from a fissile item, following a source event from an internal neutron source [spontaneous fission and (α; n) reactions]. Calculations were made for solid spheres and cylinders, with the source being homogeneously distributed within the item. Recent measurements of the Rocky Flats Shells during the Measurement of Uranium Subcritical and Critical (MUSIC) campaign conducted by Los Alamos National Laboratory and assisted by the University of Michigan inspired us to extend the model to spherical shell geometry with a point source in the middle of the central cavity. Comparison of the calculated results with the experimental ones indicated that accounting for fission as the only neutron reaction (the standard procedure in the point model, adapted also in our work so far) was not sufficient for reaching good agreement with measurements. The model was therefore extended to include elastic scattering into the one speed formalism, whereas the effect of inelastic scattering was accounted for in an empirical way. After these extensions, good agreement was found between the calculated and the measured values. The paper describes the extension of the theory and provides concrete quantitative results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2014

On Characterizing Particle Shape

It is well known that particle shape affects flow characteristics of granular materials, as well as a variety of other solids processing issues such as compaction, rheology, filtration and other two-phase flow problems. The impact of shape crosses many diverse and commercially important applications, including pharmaceuticals, civil engineering, metallurgy, health, and food processing. Two applications studied here include the dry solids flow of lunar simulants (e.g. JSC-1, NU-LHT-2M, OB-1), and the flow properties of wet concrete, including final compressive strength. A multi-dimensional generalized, engineering method to quantitatively characterize particle shapes has been developed, applicable to both single particle orientation and multi-particle assemblies. The two-dimension, three dimension inversion problem is also treated, and the application of these methods to DEM model particles will be discussed. In the case of lunar simulants, flow properties of six lunar simulants have been measured, and the impact of particle shape on flowability - as characterized by the shape method developed here -- is discussed, especially in the context of three simulants of similar size range. In the context of concrete processing, concrete construction is a major contributor to greenhouse gas production, of which the major contributor is cement binding loading. Any optimization in concrete rheology and packing that can reduce cement loading and improve strength loading can also reduce currently required construction safety factors. The characterization approach here is also demonstrated for the impact of rock aggregate shape on concrete slump rheology and dry compressive strength.

Ennis, Bryan J.↗
NASA NTRSDate not supplied

Formal Specification and Parametric Verification of the ICAROUS Distributed Merging Protocol for Autonomous Aircraft Systems

ICAROUS is a software architecture that provides highly assured core software modules for building safety-centric autonomous unmanned aircraft applications. One of its core components is the ICAROUS distributed merging (IDM) protocol, which allows for decentralized merging of autonomous aircrafts through a designated intersection. This report presents initial results on formal specification and parametric verification of the IDM protocol. We present the development of a formal, discrete-time specification of the ICAROUS distributed merging protocol in TLA+. The developed TLA+ specification includes an abstracted model of the physical aircraft dynamics, the consensus machinery for leader election and coordination, and the computation of merging schedules. In addition, we present details on a command line tool we developed verimerge, that utilizes the TLC model checker for doing bounded, parametric verification and allows for plotting of these results in 2D parameter spaces. The tool also provides functionality for visualization of concrete protocol behaviors, to aid debugging and understanding. We present preliminary, bounded time verification results for a finite number of aircraft. Limitations of the current techniques and possible future extensions of this work are also discussed.

ICAROUS↗
DOE OSTI2024

DECOVALEX-2023: Task D Final Report

Task D of DECOVALEX-2023 is focused on the simulation of the coupled thermal hydraulic-mechanical (THM) behaviour in the full-scale engineered barrier system (EBS). The Horonobe EBS experiment is the demonstration of the full-scale EBS in the underground research laboratory (URL) (performed by JAEA in the Horonobe URL in Japan). Task D consisted of the three steps, a preliminary step (Step 0), simulation of the laboratory tests (Step 1) and simulation of the in-situ full-scale EBS experiment (Step 2). Since the Horonobe EBS experiment demonstrates the vertical emplacement option of the EBS, the experiment gallery is also backfilled with the backfill material. Therefore, interaction between the EBS and the backfill material can also be demonstrated, such as deformation (change of density) of the buffer material. The underground water in the Horonobe URL is saline. This fact adds chemical processes to THM behaviour. For example, mechanical properties (such as swelling pressure of the buffer material and backfill material) and hydraulic properties (such as permeability of the buffer material and backfill material) change depending on the water chemistry. Task D was therefore a challenging Task focused on not only the relatively simple THM behaviour but also complex THM behaviour including chemical processes. Six research teams (BGR, CAS, JAEA, KAERI, SNL and Taipower) participated the Task D. BGR, CAS, JAEA, KAERI and Taipower research teams selected a THM approach, while the SNL research team selected a TH approach. Step 1 involved the simulation of laboratory test results and was important to check the numerical codes developed by the research teams. Step 1 was divided into four sub steps. The simulation results through the Step 1 identified the parameters for simulation of the Step 2. Basic parameters of the materials (buffer material, backfill material, rock mass, concrete, sand) were provided by JAEA. Special parameters which research team needed were identified by back analysis of Step 1. Most notably the mechanical behaviour of swelling and displacement depended on the applied model (elastic model or elastoplastic model). Parameters such as Young’s modulus were found to need smaller values than characterised in the fundamental laboratory test results (Step 1-1, 1-2) for the elastic model. Although laboratory experiments are usually simple, test results contained some error. For example, if the saturation level is 100 % or higher, it should be considered an error. This situation was presented in the Step 1-3. A possible reason is that the buffer material is a mixture of bentonite and silica sand. When a specimen is cut to measure volume or weight, sand grains will affect the measurement data. In Step 2, boundary conditions such as temperature on the surface of the simulated overpack, heater power of the electrical heaters installed in the simulated overpack, injection pressure and inflow rate of the test water, were applied. The outer boundary conditions can be selected using measured data (injection pressure and inflow rate of the test water that is controlled by the injection systems installed in the sand layer around the buffer material and in the boundary between backfill material and concrete support). Since such measured data has some noise, research teams developed their own simplified boundary conditions. Inner boundary conditions can be selected using measured data as heater power and temperature on the surface of the simulated overpack. These data also contain some noise, so research teams developed their own simplified developed boundary conditions. Task D validated various approaches thorough the simulation of the in-situ full scale EBS system including backfill of the gallery: variations in the coupling processes (THM or THC), analysis codes, and boundary conditions. Temperature distribution in the buffer material was simulated well by all research teams. This means thermal behaviour is not sensitive to the simulation approaches. Although the water content distribution on the outside of the buffer material was well simulated by all research teams, the simulation results differ from the measured values inside the buffer material (at the centre and inside, near the simulated overpack). The buffer material is made from tap water, but in the in-situ experiment, saline groundwater infiltrates the buffer material. Therefore, the selection of the hydraulic parameters of the buffer material greatly affects the simulation results of the re saturation behaviour of the buffer material. In the Horonobe EBS experiment, measured values suitable for validating the simulation results were not obtained near the simulated overpack. When simulating the pressure and deformation of the buffer material, the measurement data is easily affected by the installation conditions of the measurement sensors, so verifying the measurement data itself remains an issue. Mechanical simulation results differ depending on whether they are considered as elastic or elastoplastic phenomena. The accuracy of measured in-situ data can be assessed by detailed analysis comparing sampling specimen analysis and measured data. The Horonobe EBS experiment is scheduled to be dismantled in the future (FY2026 and 2027). This detailed dismantling investigation will finally confirm the measured data.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

MODELING A SPENT NUCLEAR FUEL CASK SEISMIC TEST

The US Department of Energy Spent Fuel and Waste Science and Technology (SFWST) program is planning to conduct a series of full-scale shake table tests to simulate hypothetical earthquake conditions and record the response of surrogate spent nuclear fuel (SNF) assemblies in a canister dry storage system mockup. The shake table motions will represent a range of hypothetical earthquake conditions at hypothetical locations in the continental US to generally define the range of mechanical loads that SNF can be expected to experience during extended dry storage periods. The earthquake conditions will represent seismic hazards in the 2,000-to-20,000-year return period range. The test will use instrumented pressurized water reactor fuel assemblies with surrogate mass inside the fuel rods instead of radioactive fuel pellets. Dummy assemblies with similar mass and dimensions to actual fuel assemblies will occupy the rest of the fuel assembly locations in a SNF canister that holds 32 fuel assemblies. The canister will be located inside a mockup vertical concrete cask. Instrumentation will record the motion of the major components of the complex dynamic system, and strain gauges will be used to record the cladding strain at select locations. Preparations for the test require modeling predictions to identify the range of response of the system and to help select specific earthquake cases to be simulated on the shake table from a large set of potential cases. This paper describes the pretest nonlinear finite element modeling efforts that have been completed to date, including cask system level modeling and fuel assembly modeling in LS-DYNA. The cask system level models are critical for anticipating sliding or tipping of an unanchored cask during the test. The fuel assembly model is needed to estimate the range of cladding strain response and fuel assembly structural response to be expected during the test and cladding strain measurements will be key metrics for model validation and the development of modeling best practices after the test is concluded.

Klymyshyn, Nicholas A.↗
DOE OSTI2024

Poromechanical cohesive interface element with combined Mode I-II cohesive zone elastoplasticity for simulating fracture in fluid-saturated porous media

A combined Mode I-II cohesive zone (CZ) elasto-plastic constitutive model, and a two-dimensional (2D) cohesive interface element (CIE) are formulated and implemented at small strain within an ABAQUS User Element (UEL) for simulating 2D crack nucleation and propagation in fluid-saturated porous media. Here, the CZ model mitigates problems of convergence for the global Newton-Raphson solver within ABAQUS, which when combined with a viscous stabilization procedure allows for simulation of post-peak response under load control for coupled poromechanical finite element analysis, such as concrete gravity dam stability analysis. Verification examples are presented, along with a more complex ambient limestone-concrete wedge fracture experiment, water-pressurized concrete wedge experiment, and concrete gravity dam stability analyses. A calibration procedure for estimating the CZ parameters is demonstrated with the limestone-concrete wedge fracture process. For the water-pressurized concrete wedge fracture experiment it is shown that the inherent time-dependence of the poromechanical CIE analysis provides a good match with experimental force versus displacement results at various crack mouth opening rates, yet misses the pore water pressure evolution ahead of the crack tip propagation. This is likely a result of the concrete being partially-saturated in the experiment, whereas the finite element analysis assumes fully water saturated concrete. For the concrete gravity dam analysis, it is shown that base crack opening and associated water uplift pressure leads to a reduced Factor of Safety, which is confirmed by separate analytical calculations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Diagnostics of Mixed-State Topological Order and Breakdown of Quantum Memory

Topological quantum memory can protect information against local errors up to finite error thresholds. Such thresholds are usually determined based on the success of decoding algorithms rather than the intrinsic properties of the mixed states describing corrupted memories. Here we provide an intrinsic characterization of the breakdown of topological quantum memory, which both gives a bound on the performance of decoding algorithms and provides examples of topologically distinct mixed states. We employ three information-theoretical quantities that can be regarded as generalizations of the diagnostics of ground-state topological order, and serve as a definition for topological order in error-corrupted mixed states. We consider the topological contribution to entanglement negativity and two other metrics based on quantum relative entropy and coherent information. In the concrete example of the two-dimensional (2D) Toric code with local bit-flip and phase errors, we map three quantities to observables in 2D classical spin models and analytically show they all undergo a transition at the same error threshold. This threshold is an upper bound on that achieved in any decoding algorithm and is indeed saturated by that in the optimal decoding algorithm for the Toric code. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Global warming potential estimates of mass timber constructions beyond the first life: A dynamic radiative forcing modeling approach

In the face of a warming planet, steps must be taken to reduce the greenhouse gas emissions (GHG) associated with our building industry, which is a significant contributor to global emissions. Large, prefabricated wood elements such as mass timber panels (MTP) have great potential to achieve these reductions as they help displace high-embodied‑carbon materials like concrete and steel. Furthermore, storing the wood's biogenic carbon in buildings benefits the climate because it delays the eventual release of the carbon into the atmosphere. While these climate impacts have been assessed for the construction phase of mass timber buildings, relatively few life cycle assessment (LCA) studies have evaluated the climate impacts for the buildings' end-of-life (EOL) phase. This research estimates the climate impacts of four EOL scenarios for MTP: reusing as MTP, recycling into particleboard, incinerating, and landfilling. Using dynamic radiative forcing modeling and factoring in temporal GHG emissions and biogenic carbon storage, the global warming potential impacts are calculated for construction, deconstruction, and EOL processing of hybrid mass timber buildings in the U.S. Pacific Northwest for 160 years (GWP 160 ). The 160-year temporal scale used in this paper is an arbitrary scale, with the first 80 years being the assumed life of the building, followed by a series of reuse, recycle, or disposal scenarios over the second 80 years of that temporal scale. Of the four EOL scenarios considered in this paper, the ‘reuse’ scenario has the lowest net GWP 160 impact (calculated by summing the GWP 160 and carbon storage benefits, i.e., GWP$^{bioCS}_{160}$ ), emerging as a climate-preferred scenario, followed by ‘landfill’, ‘incinerate’, and ‘recycle’ scenarios. The lower net GWP 160 impact associated with the reuse scenario is due to the low fossil carbon emissions during EOL processing, as well as the biogenic carbon storage benefits. The results of this study also highlight the importance of efficient reuse and recycling strategies for wood in MTP.

42 ENGINEERING↗
DOE OSTI2022

Molecular-based analysis of nanoparticle solvation: Classical density functional approach

Proper statistical mechanics understanding of nanoparticle solvation processes requires an accurate description of the molecular structure of the solvent. Achieving this goal with standard molecular dynamics (MD) simulation methods is challenging due to large length scales. An alternative approach to this problem can be formulated using classical density functional theory (cDFT), where a full configurational description of the positions of all the atoms is replaced by collective atomic site densities in the molecule. Using an example of the negatively charged silica-like system in an aqueous polar environment represented by a two-site water model, we demonstrate here that cDFT can reproduce MD data at a fraction of the computational cost. An important implication of this result is the ability to understand how the solvent molecular features may affect the system’s properties at the macroscopic scale. A concrete example highlighted in this work is the analysis of nanoparticle interactions with sizes of up to 100 nm in diameter.

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

New insights into the role of fly ash in mitigating alkali-silica reaction (ASR) in concrete

Alkali-silica reaction (ASR) mitigation mechanisms of fly ash in concrete are still being debated and remain an interesting research topic. This study provides new insights into the role of aluminum oxide (Al{sub 2}O{sub 3}) in fly ash particles on ASR mitigation. A comprehensive test program was conducted and included expansion measurements, dissolution model experiments of exposed and embedded borosilicate glass elements, analyses of pore and immersion solutions, quantification of Ca(OH){sub 2} content, and microstructural analyses. It was found that in addition to the traditionally accepted mitigation mechanisms such as alkali binding, diffusion control and reduction in available Ca(OH){sub 2}, dissolution control of reactive aggregates by aluminum discharged from fly ash particles also contributed to the ASR mitigation. Re-introducing alkalis to fly ash-incorporated concrete prisms which exhibited undeleterious expansion under a long-term ASR exposure triggered and significantly increased the subsequent expansion.

36 MATERIALS SCIENCE↗