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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Simple Statistical Models for Predicting Overpressure Due to CO2 and Low-Salinity Waste-Fluid Injection into Deep Saline Formations

Deep saline aquifers have been used for waste-fluid disposal for decades and are the proposed targets for large-scale CO2 storage to mitigate CO2 concentration in the atmosphere. Due to relatively limited experience with CO2 injection in deep saline formations and given that the injection targets for CO2 sometimes are the same as waste-fluid disposal formations, it could be beneficial to model and compare both practices and learn from the waste-fluid disposal industry. In this paper, we model CO2 injection in the Patterson Field, which has been proposed as a site for storage of 50 Mt of industrial CO2 over 25 years. We propose general models that quickly screen the reservoir properties and calculate pressure changes near and far from the injection wellbore, accounting for variable reservoir properties. The reservoir properties we investigated were rock compressibility, injection rate, vertical-to-horizontal permeability ratio, average reservoir permeability and porosity, reservoir temperature and pressure, and the injectant total dissolved solids (TDS) in cases of waste-fluid injection. We used experimental design to select and perform simulation runs, performed a sensitivity analysis to identify the important variables on pressure build-up, and then fit a regression model to the simulation runs to obtain simple proxy models for changes in average reservoir pressure and bottomhole pressure. The CO2 injection created more pressure compared to saline waste-fluids, when similar mass was injected. However, we found a more significant pressure buildup at the caprock-reservoir interface and lower pressure buildup at the bottom of the reservoir when injecting CO2 compared with waste-fluid injection.

Ansari, Esmail↗
DOE OSTI2023

MHD simulation on magnetic compression of field reversed configurations with NIMROD

Abstract Magnetic compression has long been proposed a promising method for plasma heating in a field reversed configuration (FRC). However, it remains a challenge to fully understand the physical mechanisms underlying the compression process, due to its highly dynamic nature beyond the one-dimensional (1D) adiabatic theory model (Spencer et al 1983 Phys. Fluids 26 1564). In this work, magnetohydrodynamics simulations on the magnetic compression of FRCs using the NIMROD code (Sovinec et al 2004 J. Comput. Phys. 195 355) and their comparisons with the 1D theory have been performed. The effects of the assumptions of the theory on the compression process have been explored, and the detailed profiles of the FRC during compression have been investigated. The pressure evolution agrees with the theoretical prediction under various initial conditions. The axial contraction of the FRC can be affected by the initial density profile and the ramping rate of the compression magnetic field, but the theoretical predictions on the FRC’s length in general and the relation r s = 2 r o in particular hold approximately well during the whole compression process, where r s is the major radius of FRC separatrix and r o is that of the magnetic axis. The evolutions of the density and temperature can be affected significantly by the initial equilibrium profile and the ramping rate of the compression magnetic field. During the compression, the major radius of the FRC is another parameter that is susceptible to the ramping rate of the compression field. Basically, for the same magnetic compression ratio, the peak density is higher and the FRC’s radius r s is smaller than the theoretical predictions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

A novel method may reveal bulk metallic glass compressive ductility trends in high data rate nanoindentation

Recent methods allow novel amorphous alloy compositions to be rapidly manufactured at small scale; however, obtaining materials properties such as compressive ductility from these smaller specimens has remained a challenge. Here, we suggest a potential high-throughput nanoindentation method that may be able to rapidly characterize the relative compressive ductility between these alloys based on their serration characteristics. The properties of emergent serrations, when interpreted in a simple micromechanical stress relaxation model, may order these materials by their compressive plastic strain to failure. These results are consistent with the ordering obtained from compressed specimens as well as with model simulations, suggesting that this model may be broadly useful for interpreting compressive ductility from nanoindentation serrations. After it is validated on more materials, this new method will match the rapid pace of amorphous alloy development, thus allowing metallic glass properties to be fine-tuned for each application prior to scale prototyping.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effects of heat treatment and build orientation on the evolution of $ϵ$ and $α'$ martensite and strength during compressive loading of additively manufactured 304L stainless steel

In this paper, the effect of heat-treatment and build orientation on martensitic phase transformation in additively manufactured (AM) 304L stainless steel is studied and compared with conventionally produced wrought material. The relationships between observed martensitic transformations and material microstructures and their effects on mechanical strength are established through experimental observations. In situ high-energy X-ray powder diffraction measurements were performed to monitor the evolution of $ϵ$ and $α'$ martensite during compressive loading of stainless steel. Electron backscatter diffraction (EBSD) was used to provide insight on initial grain morphology, crystallographic misorientation within grains, and crystallographic texture. Heat treatment alters the microstructure of AM samples creating different initial conditions. This difference in starting microstructure resulted in variability in martensitic transformation during compressive deformation. The rate of martensitic transformation decreased for AM samples treated with temperatures up to 1100°C, after which the AM microstructures recrystallized, resulting in increased rate of martensitic transformation for those samples treated at higher temperatures. It was also observed that aligning the axis of compression with the AM build direction resulted in a lower rate of strain-induced martensite formation as opposed to aligning the compression axis perpendicular to it. More favorable distribution of crystal orientations in the latter loading orientation promoted martensitic transformation. These and additional experimental observations from EBSD in terms of kernel average misorientation, mean grain orientation spread, and mean crystallite size reveal strong microstructural effects on strength of additively manufactured metallic materials.

304L stainless steel↗
DOE OSTI2024

7 Innovations in high-rate composite manufacturing: integrating additive manufacturing with compression molding process

Advanced composites play a pivotal role in modern engineering, offering exceptional strength-to-weight ratios and tailored properties, essential for various industries. High-rate composite manufacturing techniques have rapid production capabilities, which are essential for meeting the demands of industries requiring cost-saving, efficiency, and quick turnaround times. This chapter explores the Additive Manufacturing- Compression Molding (AM-CM) system developed by Oak Ridge National Laboratory (ORNL) for advanced composites manufacturing. The AM-CM system integrates additive manufacturing with compression molding, facilitating the production of polymer composite parts with superior mechanical properties and meticulously controlled microstructures. This innovative system not only ensures precise material deposition but also operates as a fast composite manufacturing process, enhancing productivity and performance, which are needed attributes across industrial applications. Through comprehensive mechanical testing and microstructural analysis, AM-CM promotes remarkable fiber alignment and reduced porosity in composite parts compared to alternative thermoplastic high-rate composite manufacturing methods. Furthermore, AM-CM enables overmolding reinforcement using continuous carbon fiber and supports selective reinforcement through customizable toolpaths. It also facilitates the production of hybrid materials to achieve tailored mechanical properties. Future advancements in AM-CM technology aim to enhance process efficiency, broaden material versatility, and improve part performance. This involves exploring novel materials, advancing process monitoring, implementing automation technologies, and integrating artificial intelligence (AI) and machine learning (ML) for predictive modeling and real-time optimization in composite manufacturing. These developments will establish the AM-CM system as a transformative technology in composite manufacturing, driving innovation across industries.

Hassen, Ahmed [ORNL] (ORCID:0000000328521222)↗
DOE OSTI2020

A control-oriented combustion model framework for compression ignition engines operating on low-reactivity fuel

This work focuses on zero-dimensional modeling of the heat release rate in a compression ignition engine operating on gasoline-like fuels. Due to the properties of gasoline, such as high volatility and longer ignition delay than diesel, the injection strategies can vary significantly from the operation with conventional diesel fuel. Different injection strategies are commonly used to achieve varying degrees of in-cylinder stratification in order to shape the combustion event and maximize efficiency. The proposed zero-dimensional combustion model was developed to account for the different stages in combustion caused by the fuel stratification. As the ignition delay model is an integral part of the entire combustion process and significantly affects the prediction accuracy, special attention has been paid to local phenomena influencing ignition delay. A one-dimensional spray model by Musculus and Kattke was employed in conjunction with a Lagrangian tracking approach in order to estimate the local air–fuel ratio within the spray tip, as a proxy for reactivity. The local air–fuel ratio, in-cylinder temperature and pressure were used in an integral fashion to estimate the ignition delay. Heat release rates were modeled using first-order non-linear differential equations. The proposed combustion model was validated against experimental data of a heavy-duty compression ignition engine with up to three injection events at mostly 1038 r/min and 14 bar brake mean effective pressure. Further validation of the model was carried out at other engine loads and speeds. Model prediction errors in CA50 of less than 1 °CA across all conditions were found. Modeling results of other combustion metrics such as combustion duration and indicated mean effective pressure are also highly satisfactory. In addition, the model has been shown to be capable of estimating the ringing intensity for most conditions.

Pamminger, Michael↗
DOE OSTI2026

Toluene Uptake and Outgassing by a 3D-Printed Silicone and the Impact on Mechanical Performance

Silicone elastomers have advantageous physical properties and are widely used in various applications. Additive manufacturing (AM) of silicones provides additional utility by enabling tunable mechanical and functional properties. However, the performance of these elastomers deteriorates over time with exposure to environmental stressors. Organic solvents and volatile organic compounds (VOCs) are stressors that can cause dimensional changes to silicones with exposure and impact the overall function. Yet, the effects of such exposure on mechanical performance, including load response (LR), are not well understood. Here, in this study, we investigated the impact of a nonpolar solvent, toluene, on AM silicone material properties and compressive load. We observed that AM silicones rapidly absorbed toluene and swelled, leading to an increase in relative LR. Toluene concentration and compression did not affect uptake or swelling rates. In contrast, outgassing rates were slower for compressed coupons compared to uncompressed specimens, attributed to geometric constraints and polymer network changes impacting toluene diffusion outward. Compression also pinned the AM silicones at an enlarged state, significantly reducing relative LR after outgassing. Depending on toluene concentrations and compression, AM silicones can remain robust against toluene exposure and recover their initial printing geometry and mechanical performance after toluene outgassing and polymer relaxation.

Materials science↗
DOE OSTI2025

Shock-induced chemistry and high strain-rate viscoelastic behavior of a phenolic polymer

We use impact experiments and a finite element model (up to 1.2 GPa), and molecular dynamics simulations (up to 60 GPa), to examine the behavior of a phenolic polymer under shock compression, spanning both nonreactive and reactive regimes. In the nonreactive regime, relaxation following compression at strain rates of ∼105 s−1 can be explained by viscoelasticity observed at ordinary laboratory rates (≲1 s−1) by accounting for the temperature dependence of the phenolic β-transition. Reasonable agreement is found between the measured shock Hugoniot up to 1.2 GPa and molecular dynamics simulation for cross-linked structures of comparable density. We also observed a first-order mechanical transition near 0.36 GPa shock stress and estimated a spall strength of 0.102 GPa and Hugoniot elastic limit of 1–2 GPa. The shock stress is found to vary up to 24% among phenolics made with different resin and/or cure processes. Finally, molecular dynamics simulations are used to identify a reactive regime at shock pressures ≳20 GPa that is characterized by chemically driven, rate-dependent relaxation processes, including dehydrogenation and dehydration reactions that promote the formation of a dense, highly cross-linked carbonaceous solid and the release of light volatiles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Quasi-static to Dynamic Mechanical Response and Microstructure Development of Tantalum-Tungsten Alloys

Lawrence Livermore National Laboratory (LLNL) is interested the quasi-static to dynamic mechanical response and microstructure evolution of tantalum-tungsten (Ta-W) alloys (Ta-2.5W, Ta-5W, and Ta-10W, wt.%) made by conventional wrought processing and additive manufacturing (AM). This work scope was performed at the Colorado School of Mines (Mines) and included quasi-static (e.g., 10 -3 s -1 ) mechanical testing in tension and compression, along with selected high strain rate (Kolsky) pressure bar testing in compression (e.g., 10 3 s -1 ), with and without temperature variations in some instances. Complementary microstructure characterization was performed on undeformed and deformed samples to understand the role of processing on microstructural evolution and the deformation mechanisms that impact the mechanical response with variations in strain rate, temperature, and strain state (e.g., tension versus compression in selected examples). The wrought material provided by LLNL from Viridis Materials was found to have unrecrystallized regions within the microstructure, which led to unexpected results relative to previously reported properties for Ta-W. The AM Ta-2.5W (wt.%) material provided by LLNL was found to have higher compressive strength than wrought Ta-2.5W (wt.%), which is hypothesized to be due to differences in the crystallographic texture between the two materials. This project partially supported several postdocs and graduate students at Mines.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Evolution of microstructure and strength of a high entropy alloy undergoing the strain-induced martensitic transformation

In a recent work, we have reported outstanding strength and work hardening exhibited by a metastable high entropy alloy (HEA), Fe 42 Mn 28 Co 10 Cr 15 Si 5 (in at. %), undergoing the strain-induced martensitic transformation from metastable gamma austenite (γ) to stable epsilon martensite (ε). However, the alloy exhibited poor ductility, which was attributed to the presence of the brittle sigma (σ) phase in its microstructure. The present work reports the evolution of microstructure, strength, and ductility of a similar HEA, Fe 38.5 Mn 20 Co 20 Cr 15 Si 5 Cu 1.5 (in at. %), designed to suppress the formation of σ phase. A cast and then rolled plate of the alloy was processed into four conditions by annealing for 10 and 30 min at 1100 °C and by friction stir processing (FSP) at tool rotation rates of 150 and 400 revolutions per minute (RPM) to facilitate detailed examinations of variable initial grain structures. Neutron diffraction and electron microscopy were employed to characterize the microstructure and texture evolution. The initial materials had variable grain size but nearly 100% γ structure. Diffusionless strain induced γ→ε phase transformation took place under compression with higher rate initially and slower rate at the later stages of deformation, independent on the initial grain size. The transformation facilitated part of plastic strain accommodation and rapid strain hardening owing to a transformation-induced dynamic Hall-Petch-type barrier effect, increase in dislocation density, and texture. Here, the peak strength of nearly 2 GPa was achieved under compression using the structure created by double pass FSP (150 RPM followed by 150 RPM). Remarkably, the tensile elongation exhibited by the alloy was nearly 20% with fracture surfaces featuring a combination of ductile dimples and cleavage.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The role of breakup and coalescence in fine-scale bubble-induced turbulence. II. Kinematics

This second part of our research explores the kinematic aspect of fine-scale bubble-induced turbulence (BIT) to (i) present the effect of bubble breakup and coalescence and (ii) compare it against the universal kinematic fine-scale turbulence characteristics reported in the literature. To this end, we simulate a dilute bubbly system of 0.5% void fraction using two distinct numerical simulations. In the volume-of-fluid (VoF) simulation, bubbles undergo breakup and coalescence. In the immersed boundary method (IBM) simulation, however, they act as rigid spheres. We also perform a simulation of classical homogeneous isotropic turbulence (HIT). The first important outcome of this study is that BIT is radically different from HIT in terms of its kinematic fine-scale characteristics. In the vorticity-dominating regions, BIT exhibits a weak vortex stretching. This weak vortex stretching is due to (a) the intermediate strain-rate eigenvalues skewed weakly to positive and (b) the extensive strain-rate eigenvector aligning perpendicular to the vorticity vector. The BIT has, on average, not only a weak enstrophy production but also a weak strain production in strain-dominating regions. The weak strain production is due to (a) the presence of vortex stretching in highly strained fluid elements and (b) the absolute magnitude of compressive strain-rate eigenvalue being as close to the extensive strain-rate eigenvalue. Thus, none of the kinematic fine-scale HIT characteristics is noted for BIT. The second important conclusion is that bubble breakup and coalescence play little to no influence on the kinematics of fine-scale BIT as VoF and IBM simulations produce similar results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

A finite-strain rate- and pressure-dependent constitutive framework for analyzing shock compression behavior of cemented tungsten carbides to 100 GPa

In the present study a thermodynamically-consistent finite-strain rate-and-pressure-dependent constitutive framework is implemented to analyze the shock-compression behavior of cemented tungsten carbides to 100 GPa. Central to this framework is the use of logarithmic strain with a set of invariant basis that allow the Cauchy stress tensor to be expressed as a sum of three response terms that are mutually orthogonal, thus permitting a complete separation of the deviatoric and volumetric (pressure) response. An overstress viscoplasticity model that includes strain and strain rate hardening along with thermal softening is used to represent the deviatoric response, while a complete Mie-Grüneisen equation of state (EoS) is used to obtain the pressure response. Using this formulation, the shock-induced compression behavior of cemented tungsten carbide - obtained from planar plate impact experiments using a 30 mm powder gun to peak stresses of up to ~100 GPa - is analyzed to better understand the structure of the measured shock wave profiles and the associated in-material shock quantities. Of particular interest is the evolution of material inelasticity and strength, and temperature in the tungsten carbide samples during the shock compression process.

Cemented tungsten carbide↗
DOE OSTI2024

Vector-based feedback of continuous wave radiofrequency compression cavity for ultrafast electron diffraction

The temporal resolution of ultrafast electron diffraction at weakly relativistic beam energies (⁠≲100 keV) suffers from space-charge induced electron pulse broadening. We describe the implementation of a radio frequency (RF) cavity operating in the continuous wave regime to compress high repetition rate electron bunches from a 40.4 kV DC photoinjector for ultrafast electron diffraction applications. Active stabilization of the RF amplitude and phase through a feedback loop based on the demodulated in-phase and quadrature components of the RF signal is demonstrated. This scheme yields 144 ± 19 fs RMS temporal resolution in pump–probe studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Quasi-static to Dynamic Response and Microstructure Development of Tantalum-Tungsten Alloys

Lawrence Livermore National Laboratory (LLNL) has a need to understand the quasi-static to dynamic mechanical response and microstructure evolution of tantalum-tungsten (Ta-W) alloys made by conventional wrought processing and additive manufacturing (AM). This two-year work scope will be performed at the Colorado School of Mines (Mines) and will include quasi-static (e.g., 10 -3 s -1 ) mechanical testing in tension and compression, along with high strain rate (Kolsky) pressure bar testing in tension and compression (e.g., 10 3 s -1 ), without and with temperature variations. Gas gun experiments at higher strain rates (e.g., over 10 3 s -1 ) will also be pursued. Complementary microstructure characterization will be performed on undeformed and deformed samples to fundamentally understand the role of processing on the microstructure characteristics and resulting deformation mechanisms that dictate the mechanical response of these alloys with variations in strain rate, temperature, and strain state. Alloys of interest will be Ta-based, containing up to 10 wt.% W. LLNL will supply initial wrought-processed material for sample machining. LLNL will also supply samples built by AM during the project for testing. Arc melting and casting may also be performed at Mines to produce small quantities of different alloys for machining and exploratory testing on an as-needed basis. This project will support multiple postdocs and graduate students at Mines, training them with the knowledge, skills, and abilities needed to study materials under extreme conditions of interest to the National Nuclear Security Agency.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Study of $\langle {p}_{\text{T}}\rangle$ and its higher moments, and extraction of the speed of sound in Pb-Pb collisions with ALICE

Ultrarelativistic heavy-ion collisions produce a state of hot and dense strongly interacting QCD matter called quark-gluon plasma (QGP). On an event-by-event basis, the volume of the QGP in ultracentral collisions is mostly constant, while its total entropy can vary significantly due to quantum fluctuations, leading to variations in the temperature of the system. Exploiting this unique feature of ultracentral collisions allows for the interpretation of the correlation of the mean transverse momentum ($\langle$p T $\rangle$) of produced charged hadrons and the number of charged hadrons as a measure for the speed of sound, c s . This speed is related to the rate at which compression waves travel in the QGP and is determined by fitting the relative increase in $\langle$p T $\rangle$ with respect to the relative change in the average charged-particle density ($\langle$dN ch /dη$\rangle$) measured at mid-rapidity. This study reports the event-average $\langle$p T $\rangle$ of charged particles as well as the variance, skewness, and kurtosis of the event-by-event transverse momentum per charged particle ([p T ]) distribution in ultracentral Pb-Pb collisions at a center-of-mass energy of 5.02 TeV per nucleon pair using the ALICE detector. Different centrality estimators based on charged-particle multiplicity or the transverse energy of the event are used to select ultracentral collisions. By ensuring a pseudorapidity gap between the region used to define the centrality and the region used to perform the measurement, the influence of biases and their potential effects on the rise of the mean transverse momentum is tested. The measured c$^{2}_{s}$ is found to strongly depend on the exploited centrality estimator and ranges between 0.1146±0.0028 (stat.)±0.0065 (syst.) and 0.4374±0.0006 (stat.)±0.0184 (syst.) in natural units. The self-normalized variance shows a steep decrease towards ultracentral collisions, while the self-normalized skewness variables show a maximum, followed by a fast decrease. These non-Gaussian features are understood in terms of the vanishing of the impact-parameter fluctuations contributing to the event-to-event [p T ] distribution.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Geometric dependencies of the mean E × B shearing rate in negative triangularity tokamaks

Abstract This paper presents a comparative study of the poloidal distribution of the mean E × B shearing rate for positive triangularity (PT) and negative triangularity (NT) tokamaks. The effects of flux surface up–down asymmetry due to asymmetric upper and lower triangularities are also considered. Both direct eddy straining and the effects on Shafranov shift feedback loops are examined. Shafranov shift increases the shearing rate at all poloidal angles for all triangularities, due to flux surface compression. The maximum shearing rate bifurcates at a critical triangularity δ crit ( ≲ 0 ) . Thus, the shearing rate is maximal off the outboard midplane for NT, while it is maximal on the outboard midplane for PT. For up–down asymmetric triangularity, the usual up–down symmetry of the shearing rate is broken. The shearing rate at the outboard midplane is lower for NT than for PT, suggesting that the shearing efficiency in NT is reduced. Implications for turbulence stabilisation and confinement improvement in high- β p NT and internal transport barrier discharges are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

A surprising proliferation of detwinning in β -tin at extreme loading rates

Integrating data from dynamic compression experiments of condensed matter across three national laboratories has led to insight and quantitative calibration of materials strength over decades of loading rate. For many materials, a single strength model (such as PTW) is sufficient to capture the flow-stress strain rate relationship which is monotonic. Here, we show here that β -tin, a tetragonal metal, exhibits dramatic deviations from this behavior. Naive fitting to a single PTW model is insufficient to capture the behavior; indeed, such resulting inferred flow stress versus strain exhibits a non-monotonic behavior. We suggest a resolution to this by proposing that in β -tin there are important Bauschinger effects arising from favorable conditions for twinning and detwinning. A simple yield surface model when paired with PTW hardening captures the experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Mechanochemical Regulation of Oxidative Addition to a Palladium(0) Bisphosphine Complex

Here, we report the effect of force applied to the biaryl backbone of a bisphosphine ligand on the rate of oxidative addition of bromobenzene to a ligand-coordinated palladium center. Local compressive and tensile forces on the order of 100 pN were generated using a stiff stilbene force probe. A compressive force increases the rate of oxidative addition, whereas a tensile force decreases the rate, relative to that of the parent complex of strain-free ligand. Rates vary by a factor of ~6 across ~340 pN of force applied to the complexes. The crystal structures and DFT calculations support that force-induced perturbation of the geometry of the reactant is negligible. The force-rate relationship observed is mainly attributed to the coupling of force to nuclear motion comprising the reaction coordinate. These observations inform the development of catalysts whose activity can be tuned by an external force that is adjusted within a catalytic cycle.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗