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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Mechanisms Engineering Test Loop (METL) Experimenter's Guide - Revision 2

The Mechanisms Engineering Test Loop (METL) was built to streamline and accelerate the in-sodium testing of systems and components under conditions that simulate a sodium-cooled fast reactor pool environment. The METL team at Argonne National Laboratory (ANL) can assist experimenters in achieving their technical goals by providing liquid-metal expertise and access to infrastructure required for most alkali metal related research. This document offers a brief overview of METL and provides a basic design guide for researchers interested in conducting research at the facility. Additional information regarding the history and operations of METL can be found in §6.1. Furthermore, high resolution images found in this document as well as CAD files of aforementioned vessels can be provided upon request.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Full circle mechanical dynamic characterization including experimental modal analysis and finite element analysis

During operation, it was observed that a specific mechanical system experienced undesirable vibration and it became necessary to understand and mitigate this phenomenon. This document investigates the tools, methodology, and results of the dynamic characterization of the system. The characterization makes use of the experimental modal analysis (EMA) methods of single input multiple output (SIMO) and single input single output (SISO). The validity of the theory of reciprocity is confirmed to minimize measurement error, cost, and time of repeat testing. Finite element analysis (FEA) is used in choosing transducer and modal impact locations to adequately characterize the system. Single degree of freedom (SDOF) and multiple degree of freedom (MDOF) curve fitting is used to fully characterize the system’s mode shapes and natural frequencies. The EMA characterization results are used to modify and validate the FEA model so that FEA can be used to model potential structural modifications to the system to mitigate the undesirable vibration. Structural modifications are chosen, implemented, and their effectiveness is quantified using EMA. Finally, a qualitative evaluation of the methodology of FEA validation by EMA and tuning of the model to match the experimental results is discussed.

42 ENGINEERING↗
DOE OSTI2025

Insight into the deformation features and capacity loss mechanisms of lithium-ion pouch cells under spherical indentation conditions

Mechanical deformation under extreme conditions is one of the important reasons for the failure of lithium-ion batteries in automotive application. However, the deformation features and component failure of lithium-ion cells to external loading has never been a design consideration. Here, in this study, we conduct spherical indentation tests on a dozen of lithium-ion cells with different capacities under different control mode conditions to investigate their deformation features and capacity loss mechanisms. The experimental results show that, under mechanical deformation conditions, internal faults of cells occur in stages, and energy accumulation and sudden release are two key processes of cell's mechanical failure. The cells' state of charge is the main factor affecting their thermal runaway behaviors. In addition, a finite element model is developed to simulate the deformation features and the failure mechanism of key components of lithium-ion pouch cells; the 3D x-ray computed tomography is employed to demonstrate its internal configuration. With this model, the force-strain response, the deformation features as well as the size of the failure area of lithium-ion cells under spherical indentation conditions are accurately predicted. In 3D x-ray computed tomography images, unique mud cracks in cooper current collector are observed, and the influence mechanisms of the isolated fragments on the cell capacities are revealed. These results may provide useful information for the mechanical structure design of the components of lithium-ion pouch cells.

25 ENERGY STORAGE↗
DOE OSTI2025

Experimental data for damage mechanics simulation challenge

While there are many computational approaches for simulating damage in rock and other materials, few have been ground truth tested with either known experimental data or with blind data sets. Here, in this work, we present a bench-mark laboratory data set for a damage mechanics challenge to compare computational approaches on damage evolution in brittle-ductile materials. The samples were fabricated through additive manufacturing to produce repeatable specimens designed to fail in controlled ways. The failure was induced in the samples using a 3-point bending test to produce different Modes such as Mode I and mixed Modes including I-II, I-III and I-II-III Modes to generate a calibration data set and a blind challenge data set. Data collected included spatial and temporal measurements from traditional digital load–displacement sensors, 2D digital image correlation measurement to map surface deformations, 3D X-ray microscopy to ground-truth the crack-failure geometry, and laser profilometry to capture surface roughness. The data sets are available, on a data repository, to the community to advance computational models to improve our ability to predict damage in brittle-ductile materials.

3-point bending↗
DOE OSTI2020

Reinforcement learning for bluff body active flow control in experiments and simulations

Significance Reinforcement learning (RL) has been applied effectively in games and robotic manipulation. We demonstrate the effectiveness of RL in experimental fluid mechanics by applying it to reduce the drag of circular cylinders in turbulent flow, a canonical fluid–structure interaction problem. Although physics agnostic, RL managed to reduce the drag by 30 % or reach another specified optimum point very quickly. Following this discovery, we used high-fidelity simulations to probe the underlying physical mechanisms so that the discovered control techniques can be generalized to other similar flow problems. More broadly, RL-guided active control can lead to efficient exploration of additional flow-control strategies in experimental fluid mechanics, potentially paving the way for accelerating scientific discovery and different designs in flow-related engineering problems.

42 ENGINEERING↗
DOE OSTI2021

Molecular dynamics and experimental study on the adhesion mechanism of polyvinyl alcohol (PVA) fiber in alkali-activated slag/fly ash

This paper aims to study the adhesion mechanism of polyvinyl alcohol (PVA) fiber within alkali-activated slag/fly ash (AASF) matrix using molecular dynamics (MD) simulation in combination with systematic experimental characterization. The adhesion of PVA to C-(N-)A-S-H gel with different Ca/(Si+Al) and Al/Si ratios was modeled using MD simulation, with the related adsorption enthalpy calculated and the adhesion mechanism explored. The experimentally attained chemical bonding energy of PVA fiber in AASF coincides well with the simulation results. In both cases, the adhesion enhances primarily with increasing Ca/(Si+Al) ratio of C-(N-)A-S-H gel. Additionally, MD simulation indicates preferential element distributions of Ca around PVA molecule, which was confirmed experimentally by the detection of the Ca-rich C-(N-)A-S-H gel in the interfacial transition zone (ITZ). }This study provides further insights into the adhesion mechanism of PVA fiber to C-(N-)A-S-H gel formed in AASF, which is particularly valuable for the future development of PVA-based high-performance alkali-activated composites.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Atomic-Scale Computational and Experimental Investigation of Twinning Mechanisms in HCP Systems

One of the major goals of the Materials Science and Engineering community is to achieve a fundamental understanding of how alloying affects the mechanical properties of structural materials. Titanium (Ti) and its alloys are particularly in demand due to their relatively lightweight, high strength and corrosion resistance. The low-temperature ductility of hexagonal close-packed (hcp) Ti known as α- Ti is linked to twinning. The addition of alloying elements can affect the deformation mechanisms leading to the change in macro-scale mechanical properties. To understand these effects, our objective is to study and quantify the energetics and kinetics of substitutional and interstitial solutes on the deformation mechanisms of hcp alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Experimental Evaluation of Deformation and Fracture Mechanisms in Highly Irradiated Austenitic Steels

The present report documents recent experimental results of analysis using scanning electron microscopy/electron backscatter diffraction (SEM-EBSD) of plastic deformation mechanisms and strain localization phenomena in austenitic steels irradiated by neutrons. Experiments were performed with specimens irradiated to 125 dpa and, additionally, with specimens that experienced radiation-induced swelling up to 3%. Section 1 briefly analyzes the deformation localization in irradiated steels and its consequences on the material performance. The section describes the advantages and importance of the SEM-EBSD approach combined with in situ mechanical testing capability. Section 2 briefly introduces the experimental tools and methods (i.e., SEM/EBSD in situ tensile frame, electric discharge machine to manufacture irradiated specimens) and describes the investigated materials (i.e., element composition, irradiation conditions, and general microstructure). Section 3 describes the key experimental results and provides a brief analysis and comparison with the datasets obtained earlier within the same task (i.e., low-dose specimens). The discussion focuses on EBSD microstructure maps with strain localization features, misorientation evolution as a function of strain, and observed deformation mechanisms. Section 4 evaluates data collected in recent years on highly irradiated steel and estimates the possible misorientation evolution under irradiation. The section introduces and discusses the concept of in-service-induced damage as an irradiation-assisted stress-corrosion cracking precursor. Section 5 summarizes the work performed. As expected, the present work results are beneficial for exploring and understanding degradation mechanisms in highly irradiated in-core materials found in light water reactors after long-term in-service life.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Computational and Experimental Investigation of Thermal-Mechanical- Chemical Mechanisms of High-burnup Spent Nuclear Fuel (SNF) Processes at Elevated Temperatures and Degradation Behavior in Geologic Repositories

The overarching goal of the combined computational and experimental R&D activities proposed in this project is to enhance understanding of the mechanisms and thermal-mechanical-chemical (TMC) parameters controlling the instant release fraction (IRF) and matrix dissolution of high-burnup (HB; burnup) spent nuclear fuels (SNFs) and the subsequent formation, stability, and phase transformations of SNF alteration products under long-term storage and geological disposal conditions. Uranium dioxide may undergo oxidative corrosion/alteration, and the IRF may be increased for HB SNF, both of which may affect environmental systems associated with SNF long-term storage and disposal. The oxidative matrix dissolution may form various complex uranyl-based phases, including a rich variety of oxides, silicates, carbonates and other secondary minerals in varied geological environments (e.g., studtite, metastudtite, amorphous uranyl peroxide, uranium trioxide, triuranium octoxide, schoepite, dehydrated schoepite, metaschoepite, becquerelite, soddyite, rutherfordine,...). These uranyl phases generally have higher mobility UO 2 +2 species than less soluble U 4+ phases. However, limited information on the thermodynamic properties and formation kinetics of these uranyl-bearing phases is available to predict explicitly paragenesis under the conditions relevant to long-term storage or disposal. The proposed project draws on complementary expertise and research backgrounds from the team members: (i) to apply a combined ab initio modeling (UNLV/UTEP and SNL) and experimental (UNLV) strategy investigating the high-temperature TMC mechanisms of alteration of SNF under α-radiolysis conditions; (ii) to investigate the mechanistic of phase transformations in UNF degradation products under various conditions expected in long-term storage systems (e.g. (UO 2 )O 2 (H 2 O) 4 → (UO 2 )O 2 (H 2 O) 2 → U 2 O 7 → UO 3 → U 3 O 8 ); (iii) to determine high-accuracy TMC parameters for complex uranyl-based phases formed in storage or geological disposal environments (e.g. UO 3 (H 2 O) 2 , Ca[(UO 2 ) 6 O 4 (OH) 8 ] 8 H 2 O, (UO 2 ) 2 (SiO 4 ) 3 2H 2 O,…). The unforeseen COVID-19 pandemic led to the laboratory/campus closure since March 2020, that resulted in a significant delay in reaching milestones in a satisfactory manner, due to (i) the statewide recommendation from stop-working to later limited work in the lab and work-from-home (WFH), (ii) no in-person interactions, and (iii) a hiring freeze at UNLV. Therefore, a no cost extension (10/01/2021- 9/30/2022) was requested to help make up the time we lost during the global pandemic in 2020-2021, leading to paradigm shifts in the focus of the project in the following three main tasks: Task 1 (Computational), Task 2 (Experimental), and Task 3 (Final report, due on 12/29/2022).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties**

Abstract The study presents an ab‐initio based framework for the automated construction of microkinetic mechanisms considering correlated uncertainties in all energetic parameters and estimation routines. 2000 unique microkinetic models were generated within the uncertainty space of the BEEF‐vdW functional for the oxidation reactions of representative exhaust gas emissions from stoichiometric combustion engines over Pt(111) and compared to experiments through multiscale modeling. The ensemble of simulations stresses the importance of considering uncertainties. Within this set of first‐principles‐based models, it is possible to identify a microkinetic mechanism that agrees with experimental data. This mechanism can be traced back to a single exchange‐correlation functional, and it suggests that Pt(111) could be the active site for the oxidation of light hydrocarbons. The study provides a universal framework for the automated construction of reaction mechanisms with correlated uncertainty quantification, enabling a DFT‐constrained microkinetic model optimization for other heterogeneously catalyzed systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Evaluation of Corrosion and Its Impact on the Mechanical Performance of Al–Steel Joints

Aluminum–steel joints are increasingly used in the automotive industry to meet the requirements for energy saving and emission reduction. Among various joining technologies, self-pierce riveting (SPR) and resistance spot welding (RSW) are two well-established technologies for fabricating dissimilar joints with stable and high mechanical performance. However, corrosion will occur in these joints inevitably due to different electrochemical properties, which can degrade the surface quality and the mechanical performance, such as strength. This paper presents a method of understanding the corrosion mechanisms in joining aluminum and steel. For this understanding, a hybrid method combining experimental observations, mechanical properties identification, and analytical approaches was used to assess the evolution of the impact of corrosion on the joining performance, such as traction separation curves. The study was conducted on common combinations used in the vehicles, e.g., a 1.2 mm thickness aluminum alloy (AA 6022) and 2.0 mm thickness hot deep galvanized steel (HDG HSLA 340) joined by SPR and RSW. After the fabrication of these joints, accelerated cyclic corrosion tests of up to 104 cycles were performed, which reproduced the environmental conditions to which a vehicle was exposed. By investigating the microstructural evolution within the joints, the corrosion mechanisms of SPR and RSW joints were revealed, including the initiation and propagation. Moreover, the intrinsic impact of the corrosion on the mechanical performance, including the strength, axial stiffness, and crashworthiness, was analyzed by performing a lap-shear test. It showed that as corrosion proceeds, the fracture modes and mechanical performance are affected significantly.

Chemistry↗
DOE OSTI2020

A comparative experimental study of the hygroscopic and mechanical behaviors of electrospun nanofiber membranes and solution–cast films of polybenzimidazole

This article reports a comparative experimental study of the hygroscopic and mechanical behaviors of electrospun polybenzimidazole (PBI) nanofiber membranes and solution-cast PBI films. As-electrospun nonwoven PBI nanofiber mats (with the nanofiber diameter of ~250 nm) were heat-pressed under controlled temperature, pressure and duration for the study; lab-made solution-cast PBI films and commercially available PBI films (the PBI Performance Product Inc., Charlotte, NC) were used as the control samples. Thermogravimetric and microtensile tests were utilized to characterize the hygroscopic (moisture absorption) and mechanical properties of the PBI nanofiber membranes at varying heat-pressing conditions, which were further compared to those of solution-cast PBI films. Experimental results indicated that the PBI nanofiber membranes carried slightly higher thermal stability and less hygroscopic properties than those of solution-cast PBI films. In addition, heat-pressing conditions significantly influenced the mechanical properties of the resulting PBI nanofiber membranes. The stiffness and tensile strength increase with increasing either the heat-pressing pressure or duration, and relevant mechanisms were explored. Here, the present study provides a rational understanding of the hygroscopic and mechanical behaviors of electrospun PBI nanofiber membranes and solution-cast PBI films that are beneficial to their reliable cutting-edge applications in high-temperature filtration, polymer electrolyte membranes (PEMs), etc.

25 ENERGY STORAGE↗
DOE OSTI2021

A combined experimental and computational analysis of failure mechanisms in open-hole cross-ply laminates under flexural loading

In this work, integrated experimental tests and computational modeling are proposed to investigate the failure mechanisms of open-hole cross-ply carbon fiber reinforced polymer (CFRP) laminated composites. In particular, we propose two effective methods, which include width-tapered double cantilever beam (WTDCB) and fixed-ratio mixed-mode end load split (FRMMELS) tests, to obtain the experimental data more reliably. We then calibrate the traction-separation laws of cohesive zone model (CZM) used among laminas of the composites by leveraging these two methods. The experimental results of fracture energy, i.e. G Ic and G Tc , obtained from WTDCB and FRMMELS tests are generally insensitive to the crack length thus requiring no effort to accurately measure the crack tip. Moreover, FRMMELS sample contains a fixed mixed-mode ratio of G IIc /G Tc depending on the width taper ratio. Examining comparisons between experimental results of FRMMELS tests and failure surface of B–K failure criterion predicted from a curve fitting, good agreement between the predictions and experimental data has been found, indicating that FRMMELS tests are an effective method to determine mixed-mode fracture criterion. In addition, a coupled experimental-computational modeling of WTDCB, edge notched flexure, and FRMMELS tests are adopted to calibrate and validate the interfacial strengths. Finally, failure mechanisms of open-hole cross-ply CFRP laminates under flexural loading have been studied systematically using experimental and multi-scale computational analyses based on the developed CZM model. The initiation and propagation of delamination, the failure of laminated layers as well as load-displacement curves predicted from computational analyses are in good agreement with what we have observed experimentally.

36 MATERIALS SCIENCE↗
DOE OSTI2026

A Coupled Theoretical and Experimental Approach to Elucidating the Mechanisms of Methyl Esters

The goal of this project was to probe fundamental kinetics questions regarding the gas phase reactive behavior of oxygenates. In order to succeed, our program necessitated both the development of new experimental tools and the development of theory based kinetic models to explain the chemistry of oxygenate fuels. By using advanced hybrid additive manufacturing/ traditional manufacturing techniques to create specialized ceramic micro-reactors, the team was able to simulate extreme high-temperature environments with much greater precision and durability than was previously possible. These tiny, high-tech tubes allow researchers to capture and identify "fleeting" chemical species—molecules that exist for only a fraction of a millisecond—using sophisticated light sources and mass spectrometry. Additionally, the team supported the development of a tabletop VUV laser system for isomer detection without a synchrotron. Through this work, we have successfully mapped out the specific chemical pathways of various oxygen-rich fuels, solving long-standing mysteries about how these substances break down kinetically. Ultimately, this research provides the fundamental knowledge needed to design next-generation engines and fuels that are better for the environment.

09 BIOMASS FUELS↗
DOE OSTI2025

Characterization of ablator dynamics initiated by picket-pulse conditions

Direct-drive laser-fusion targets may include low-cost plastic ablator material. Here, this work describes a tabletop experimental system designed to enable the investigation of the interaction of such ablator material as a function of the laser wavelength and the associated excitation mechanism. This experimental system offers time-resolved imaging of the material response with subpicosecond temporal resolution and ≈1-μm spatial resolution. The system involves synchronized femtosecond and picosecond lasers to initiate and characterize the dynamics of polystyrene planar targets irradiated by conditions similar to a “picket” prepulse from a direct-drive pulse shape. Ultrafast imaging of the initial excitation process followed by the resulting critical plasma formation, shock-wave propagation, and blowoff plasma expansion is used to compare the impact of excitation wavelength, 355 nm or 266 nm, on the ensuing dynamics. This work aims to investigate fundamental laser material interactions to help advance physics models that can inform the development of laser driver and target designs.

42 ENGINEERING↗
DOE OSTI2020

Internal short circuit and failure mechanisms of lithium-ion pouch cells under mechanical indentation abuse conditions: An experimental study

Electromechanical structural integrity and thermal stability dictate the safety performance of lithium-ion batteries. Progressive deformation and failure across microscopic and macroscopic lengths scales that are responsible for internal short circuit (ISC) in lithium-ion cells under mechanical abuse conditions remains elusive. In this study, a series of indentation tests were conducted on lithium-ion cells with different capacities up to the occurrence of ISC. The external response and internal configuration of these cells were investigated. It is discovered that cells with different capacities and state of charges exhibited different behaviors. Maximum temperature, which is often regarded as the most important parameter related to thermal runaway (TR), varied considerably due to the complicated contact configurations. X-ray computed tomography (XCT) showed that ISC was a collective result of shear band or other strain-localization modes in the electrode assembly, shear offsets in the granular coatings of electrodes, and the accompanying ductile fracture in the metal foils. We believe that the irregular strain-localization modes (kinks, cusps, and buckles), radical mismatches in mechanical properties of different layers, and geometric features of the indenter eventually lead to the tearing/puncture of cell separator at various locations. Furthermore, the results could provide useful guidance for the micromechanical modeling of lithium-ion cells.

25 ENERGY STORAGE↗