Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Li plasticity”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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

At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Identification and Mitigation of Inhibitory Substances Contained in High-Salinity Crude Glycerol Generated from Biodiesel Production for Polyhydroxyalkanoate Synthesis by Haloferax mediterranei

High-salinity crude glycerol generated from biodiesel production poses significant challenges to microbial valorization due to inhibitory ingredients that severely limit microbial growth. This study identified and mitigated inhibitory substances contained in high-salinity glycerol sludge to enable its conversion to polyhydroxyalkanoates (PHAs) by the extreme halophilic archaeon Haloferax mediterranei. The long-chain fatty acids (LCFAs) were consistently identified as the primary inhibitors by liquid chromatography−mass spectrometry, Fourier transform infrared spectroscopy, and ultraviolet−visible spectroscopy. Acid precipitation at pH 2 efficiently removed these LCFAs, substantially reducing the required feedstock dilution from 23 to 3 times, improving PHA titer by 40%. Furthermore, this dilution reduction also increased the feedstock salinity utilization, achieving a 46% reduction in external salt supplementation for H. mediterranei growth. In contrast, overliming and arrested anaerobic digestion were confirmed to be ineffective in inhibitor removal. This study provides deep insights into inhibitor chemistry and presents acid precipitation as an effective pretreatment strategy for waste valorization of highsalinity crude glycerol.

LC-MS↗
DOE OSTI2022

Machine learning in nuclear materials research

Nuclear materials are often demanded to function for extended time in extreme environments, including high radiation fluxes with associated transmutations, high temperature and temperature gradients, mechanical stresses, and corrosive coolants. They also have a wide range of microstructural and chemical makeups, resulting in multifaceted and often out-of-equilibrium interactions. Machine learning (ML) is increasingly being used to tackle these complex time-dependent interactions and aid researchers in developing models and making predictions, sometimes with better accuracy than traditional modeling that focuses on one or two parameters at a time. Conventional practices of acquiring new experimental data in nuclear materials research are often slow and expensive, limiting the opportunity for data-centric ML, but new methods are changing that paradigm. Here we review high-throughput computational and experimental data approaches, especially robotic experimentation and active learning that is based on Gaussian process and Bayesian optimization. We show ML examples in structural materials (e.g., reactor pressure vessel (RPV) alloys and radiation detecting scintillating materials) and highlight new techniques of high-throughput sample preparation and characterizations, and automated radiation/environmental exposures and real-time online diagnostics. Herein, this review suggests that ML models of material constitutive relations in plasticity, damage, and even electronic and optical responses to radiation are likely to become powerful tools as they develop. Finally, we speculate on how the recent trends of using natural language processing (NLP) to aid the collection and analysis of literature data, interpretable artificial intelligence (AI), and the use of streamlined scripting, database, workflow management, and cloud computing platforms that will soon make the utilization of ML techniques as commonplace as the spreadsheet curve-fitting practices of today.

36 MATERIALS SCIENCE↗
DOE OSTI2020

High-energy synchrotron x-ray study of deformation-induced martensitic transformation in a neutron-irradiated Type 316 stainless steel

An unusual tensile deformation behaviour in the form of a propagating band along the sample gauge was observed in two neutron-irradiated 316 stainless steel samples during room-temperature tests, leading to a combination of high strength and high ductility. These bands were not observed in an unirradiated counterpart. With the help of in situ high-energy synchrotron x-ray diffraction, the phase-specific crystal information was tracked at different deformation levels in each sample. Post-irradiation and post-deformation samples were examined using electron microscopy to characterize various microstructural features. All samples displayed a deformation-induced martensitic phase transformation, which was identified as a second strain-hardening mechanism accompanying the dislocation hardening. The deformation-induced martensitic transformation was rationalized by the effect of applied stress on the effective martensite start temperature. The results showed that the irradiation did not alter the dislocation hardening and the martensitic transformation mechanisms, but the increased yield strength in irradiated materials facilitated the localized phase transformation at the onset of plastic deformation, in contrast to the unirradiated material which required pre-straining. The hardening effect of the martensitic transformation reduced the tendency towards necking and mitigated the loss of ductility in the irradiated material by carrying the deformation in the form of a propagating band. Despite the beneficial effect from the martensitic transformation, this study indicates that this mechanism cannot not be activated at typical operating temperatures of nuclear reactors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

An innovative and alternative approach toward gear fabrication

In this paper, we present the first demonstration of single-step gear manufacturing via an innovative in-situ friction stir forging approach. This novel process is a natural extension to the friction stir processing technique and relies on shear and normal stresses to form the complex shapes. Friction stir welding pin tool with shoulder is plunged at high revolutions per minute (rpm) into the sample to heat it to the desired temperature and enable plastic flow. Then, the tool is forged at high plunge rate to form the desired structurally-sound and defect free complex shapes. To better visualize the process the experiments are complemented by a 3D thermomechanically coupled, smoothed particle hydrodynamics (SPH) model to understand the material flow pattern both radially and through thickness in the gear teeth, plastic strain distribution, and temperature profile. We have demonstrated application of I-FSF to inherently poor formable AZ31 Mg, AA 7075-T6, and AA5083–10 vol% TiB 2 composite and fabricated 14-tooth spur gears from these materials with minimal farther machining. In conclusion, microstructure of the forged gears exhibited a directional material flow pattern due to the normal forging action and refinement of grains to 6–13 μm through dynamically recrystallization across the radial, through-thickness direction, which is in good agreement with the corresponding SPH simulation results.

42 ENGINEERING↗
DOE OSTI2022

Understanding slurry formulations to guide solution-processing of solid electrolytes

Scalable processing of thin solid electrolytes is crucial for engineering solid-state batteries with practical energy densities. To leverage existing battery production infrastructure, pathways for solution processing of solid electrolyte films must be investigated. Here, roll-to-roll compatible film preparation of aluminum-doped lithium lanthanum zirconate oxide was studied. Four slurry configurations accounting for different solvent properties and solid loadings were evaluated to investigate the ternary interactions within the dispersions. Rheological and coating stability analyses were carried out on the processed slurries. The analysis and characterization indicated that improved component interactions within the ethanol/toluene system result in homogenized distribution of the particles, binder, and plasticizer, and enable the extraction of free-standing thin films with thicknesses of 20 μm and large area (>15 in. 2 ). The drawbacks and opportunities of several protocols for high temperature sintering of the dried green films were investigated. This study highlights the importance of engineering dispersions during the development of processing protocols for solid electrolytes and provides guidelines for the best practices that can be leveraged for solution processing–based fabrications for a wide range of solid electrolyte materials.

25 ENERGY STORAGE↗
DOE OSTI2024

Kink bands promote exceptional fracture resistance in a NbTaTiHf refractory medium-entropy alloy

Single-phase body-centered cubic (bcc) refractory medium- or high-entropy alloys can retain compressive strength at elevated temperatures but suffer from extremely low tensile ductility and fracture toughness. We examined the strength and fracture toughness of a bcc refractory alloy, NbTaTiHf, from 77 to 1473 kelvin. This alloy’s behavior differed from that of comparable systems by having fracture toughness over 253 MPa·m 1/2 , which we attribute to a dynamic competition between screw and edge dislocations in controlling the plasticity at a crack tip. Whereas the glide and intersection of screw and mixed dislocations promotes strain hardening controlling uniform deformation, the coordinated slip of <111> edge dislocations with {110} and {112} glide planes prolongs nonuniform strain through formation of kink bands. These bands suppress strain hardening by reorienting microscale bands of the crystal along directions of higher resolved shear stress and continually nucleate to accommodate localized strain and distribute damage away from a crack tip.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Directional amorphization of covalently-bonded solids: A generalized deformation mechanism in extreme loading

Shock compression subjects materials to a unique regime of high quasi-hydrostatic pressure and coupled shear stresses for durations on the order of 1–10 nanoseconds for laser-driven loading of samples. There is, additionally, an attendant temperature increase due to the shock and the mechanisms of plastic deformation in metals whereby dislocations, twins, and phase transitions nucleate and propagate at velocities near the sound speed. Covalently bonded materials have, by virtue of the directionality of their bonds, great difficulty in responding by conventional plastic deformation to this extreme regime of shock compression. Here, we propose that the shear from shock compression induces amorphization, as observed in Si, Ge, B4C, SiC, and olivine ((Mg, Fe) 2 SO 4 ) and that this is a general deformation mechanism in a broad class of covalently bonded materials. The crystalline structure transforms to amorphous along regions of maximum shear stress, forming nanoscale bands, and thereby relaxing the shear component of the imposed shock stress. This process is usually preceded by the emission and propagation of a critical concentration of dislocations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Mid-infrared photodetection with 2D metal halide perovskites at ambient temperature

The detection of mid-infrared (MIR) light is technologically important for applications such as night vision, imaging, sensing, and thermal metrology. Traditional MIR photodetectors either require cryogenic cooling or have sophisticated device structures involving complex nanofabrication. Here, we conceive spectrally tunable MIR detection by using two-dimensional metal halide perovskites (2D-MHPs) as the critical building block. Leveraging the ultralow cross-plane thermal conductivity and strong temperature-dependent excitonic resonances of 2D-MHPs, we demonstrate ambient-temperature, all-optical detection of MIR light with sensitivity down to 1 nanowatt per square micrometer, using plastic substrates. Through the adoption of membrane-based structures and a photonic enhancement strategy unique to our all-optical detection modality, we further improved the sensitivity to sub–10 picowatt-per-square-micrometer levels. The detection covers the mid-wave infrared regime from 2 to 4.5 micrometers and extends to the long-wave infrared wavelength at 10.6 micrometers, with wavelength-independent sensitivity response. Our work opens a pathway to alternative types of solution-processable, long-wavelength thermal detectors for molecular sensing, environmental monitoring, and thermal imaging.

Li, Yanyan [Yale University, New Haven, CT (United↗
DOE OSTI2022

Solutes that reduce yield strength anisotropies in magnesium from first principles

Using Labusch-type solid solution strengthening models parameterized with DFT-computed solute-dislocation interaction energies, we perform a computational search for 63 solutes across the periodic table to find those that lower anisotropy ratios (non-basal to basal CRSS) of magnesium potentially increasing its ductility per the von Mises criterion. For this purpose, we compute changes in strength for solutes as a function of composition and temperature, and compute anisotropy ratios for solutes that include both rare earth and non-rare earth elements. Here we specifically focus on solute-dislocation interaction energies in the following DFT-optimized dislocations as representative of three non-basal plastic deformation modes: $\langle c + a \rangle$ edge, (10$\bar1$2) tension twinning edge, and the (10$\bar{1}$1) compression twinning edge. We find that solute-induced changes in non-basal deformation modes can be approximated using a second-order polynomial in the size misfit of the solutes, which permits rapid screening of solutes. Our approach to identify solutes known to improve strengthening incorporates solute solubility, and suggests other solutes that not have been previously explored for strengthening. The 8 rare-earth solutes that our method suggests as the best, ordered by increasing anisotropy ratios at their optimal concentrations, are: Gd, Tb, Dy, Nd, Ho, Er, Tm, and Yb. The 12 non-rare-earth solutes that our method suggests as the best, ordered by increasing anisotropy ratios, are: Y, Mn, Sc, Pb, Ca, Ag, Bi, Tl, Zn, Li, Ga, and Al. Of these, Gd, Nd, Er, Yb, Y, Mn, Ca, Zn, Li, and Al are used in commercial Mg alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Textured Electrodes: Manipulating Built-In Crystallographic Heterogeneity of Metal Electrodes via Severe Plastic Deformation

Control of crystallography of metal electrodeposit films has recently emerged as a key to achieving long operating lifetimes in next-generation batteries. It is reported that the large crystallographic heterogeneity, e.g., broad orientational distribution, that appears characteristic of commercial metal foils, results in rough morphology upon plating/stripping. On this basis, an accumulative roll bonding (ARB) methodology—a severe plastic deformation process—is developed. Zn metal is used as a first example to interrogate the concept. It is demonstrated that the ARB process is highly effective in achieving uniform crystallographic control on macroscopic materials. After the ARB process, the Zn grains exhibit a strong (002) texture (i.e., [002] Zn //ND). The texture transitions from a classical bipolar pattern to a nonclassical unipolar pattern under large nominal strain eliminate the orientational heterogeneity of the foil. The strongly (002)-textured Zn remarkably improves the plating/stripping performance by nearly two orders of magnitude under practical conditions. The performance improvements are readily scaled to achieve pouch-type full batteries that deliver exceptional reversibility. The ARB process can, in principle, be applied to any metal chemistry to achieve similar crystallographic uniformity, provided the appropriate temperature and accumulated strains are employed. Here this concept is evaluated using commercial Li and Na foils, which, unlike Zn (HCP), are BCC crystals. The simple process for creating strong textures in both hexagonal and cubic metals and illustrating the critical role such built-in crystallography plays underscores opportunities for developing highly reversible thin metal anodes (e.g., hexagonal Zn, Mg, and cubic Li, Na, Ca, Al).

36 MATERIALS SCIENCE↗
DOE OSTI2024

Martensitic transformation induced strength-ductility synergy in additively manufactured maraging 250 steel by thermal history engineering

Maraging steels are known for their exceptional strength but suffer from limited work hardening and ductility. Here, in this study, we report an intermittent printing strategy to tailor the microstructure and mechanical properties of maraging 250 steel via tuning the thermal history during wire-arc directed energy deposition. By introducing a dwell time between adjacent layers, the maraging 250 steel is cooled below the martensite start temperature, triggering thermally-driven martensitic transformation during the printing process. Thermal cycling during subsequent layer deposition results in the formation of reverted austenite which shows a refined microstructure and induces elemental segregation between martensite and reverted austenite. The Ni enrichment in the austenite promotes stabilization of the reverted austenite upon cooling to room temperature. The reverted austenite is metastable during deformation, leading to strain-induced martensitic transformation under loading. Specifically, a 3 min interlayer dwell time produces a maraging 250 steel with approximately 8% reverted austenite, resulting in improved work hardening via martensitic transformation induced plasticity during deformation. Meanwhile, the higher cooling rate and refined prior austenite grains lead to substantially refined martensitic grains (by approximately fivefold) together with an increased dislocation density. With 3 min interlayer dwell time, the yield strength of the printed maraging 250 steel increases from 836 MPa to 990 MPa, and the uniform elongation is doubled from 3.2% to 6.5%. This intermittent deposition strategy demonstrates the potential to tune the microstructure of maraging steels for achieving strength-ductility synergy by engineering the thermal history during additive manufacturing.

Additive manufacturing↗
DOE OSTI2020

Surface Integrity and Oxidation of a Powder Metallurgy Ni-Based Superalloy Treated by Laser Shock Peening

Laser shock peening is a mechanical surface treatment which can induce large compressive residual stresses and microstructural changes in the material by using repetitive shocks from laser pulses. In this work, the surface integrity (surface microstructure, topography, hardness and residual stress) of a laser shock peening treated powder metallurgy Ni-based superalloy was investigated. Laser shock peening treatment introduces large plastic deformation especially at a depth of about 100 μm from the surface, which increases the local hardness. The residual stress from the surface to the interior of the sample was investigated by synchrotron X-ray diffraction. The maximum compressive stress reaches 400 MPa at the surface, while the depth of the compressive stress is about 0.7 mm. Lastly, the oxidation behavior of the treated and untreated samples was evaluated by thermal exposure at 700°C for 312 h. The LSP treatment decreased the thickness of oxide layer, thereby showing improved oxidation resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Intra-canopy leaf trait variation facilitates high LAI and compensatory growth in a clonal woody encroaching shrub in the tallgrass prairie

This data package contains the data for Tooley et al. (2022) Intra-canopy leaf trait variation facilitates high leaf area index and compensatory growth in a clonal woody encroaching shrub. The purpose of this project was to evaluate the leaf ecophysiological traits of Cornus drummondii C.A. Mey to better understand how C. drummondii maximizes photosynthetic rates across large gradients of light availability in its short, dense canopies. We also evaluate how C. drummondii modifies its allocation of leaf traits in response to grassland disturbance. High LAI canopies and a compensatory growth response to disturbance are two key factors contributing to the success of C. drummondii and other woody species responsible for the encroachment of grasslands.The data package contains ecophysiological measurements, including leaf morphological, physiological, and chemical traits; photosynthetic measurements, leaf carbon and nitrogen stable isotopes, leaf area index, and photosynthetically active radiation. All measurements were taken vertically across canopies of the clonal woody-encroaching shrub Cornus drummondii under browsed, grazed, and control (unbrowsed and ungrazed) conditions.Files:SeasonalMeasurements_Archive.csv - Data for all seasonal measurements used in the study.LeafPhotoSeasonalRaw_Archive.zip - zip file containing raw data from an li-6400 for each sampling period in the study.LAI_Archive.xlsx - Data for LAI Measurements.ACiandLightCurveResults_Archive.xlsx - Contains parameters extracted from A-ci and Light Response curves along with the morphological and chemical traits for each leaf.ACiRaw Archive.xlsx - Raw data from Li-6400 for A-ci response curvesLightCurves_Raw.zip - zip file containing raw data for Li-6400 light response curves. Excel file format: "IslandID"-"Depth"-lc.xlsx (or .csv)DataCollectionMethods.docx - file containing the methods of data collection, processing, and QA/QC for all data files. File also contains a list of excel file headers, abbreviations, and their units.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Solid waste gasification: comparison of single- and multi-staged reactors

Interest in converting waste into renewable energy has increased recently due to concerns about sustainability and climate change. This solid waste is mainly derived from municipal solid waste (MSW), biomass residue, plastic waste, and their mixtures. Gasification is one commonly applied technology that can convert solid waste into usable gases, including H2, CO, CH4, and CO2. Single- and multi-staged reactors have been utilized for solid waste gasification. Comparison in reactor dimensions, operating factors (e.g., gasification agent, temperature, and feed composition), performance (e.g., syngas yield and selectivity), advantages, and disadvantages are discussed and summarized. Additionally, discussion will include economic and advanced catalysts which have been developed for use in solid waste gasification. The multi-staged reactor can not only be applied for gasification, but also for pyrolysis and torrefaction.

Zhao, Xianhui↗
DOE OSTI2024

Nanofabrication and inspection of fuel capsules for inertial confinement fusion

3D nanofabrication via Two-Photon Polymerization (TPP) provides a unique capability of flexibly fabricating complex structures over 1D-3D dimensions and µm-cm scales with resolutions below 100 nm. In the past years, the Laser-Assisted Nano Engineering (LANE) Group at the University of Nebraska-Lincoln (UNL) has been working closely with the Laboratory of Laser Energetics (LLE) in developing practical TPP approaches to fabricating various target structures for Inertial Confinement Fusion (ICF). At the same time, fuel capsules for ICF experiments should be inspected for surface and wall-embedded defects. Plastics materials [e.g., for example polystyrene (PS)] are the common materials used to make fuel capsules. However, during their manufacturing, capsules usually contain defects (vacuoles) embedded inside the shell walls, which may distort the implosion processes and influence the ICF performance of the capsules. The size of vacuoles is usually in a range from 100 to 2000 nm. Coherent anti-Stokes Raman scattering (CARS) microscope offers the capabilities of inspecting and characterizing the capsule defects. Furthermore, cryo-CARS microscopy was developed to explore how fuel isotope distributed inside target when icing that could not be diagnosed before.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Spatial and temporal characterization of municipal solid waste based on resource recovery pathways

This study presents a two-year, quarterly assessment of MSW across four source sectors (residential, schools, restaurants, and grocery stores) from sixteen sites across five U.S. states. MSW was manually sorted into 27 categories and aggregated into pathway fractions: high-moisture (HM) organics, low-moisture (LM) organics, recyclable (RC) materials, and residuals for disposal. Organics represented 89 % of the MSW stream. The largest fraction was HM organics consisting of food waste (31 %) and yard waste (3 %), with large coefficient of variations (CV), 79 and 278 %, respectively, reflecting high seasonal and site variability that varied significantly (p < 0.01) across sampling periods. The HM fraction showed properties favorable for anaerobic digestion, with moisture content ranging from 56 to 95 % and volatile solids ranges of 86-95 %. In contrast, the LM and RC fractions remained more stable (plastics CV = 41 %; paper CV = 53 %) with heating values up to 26.9 MJ/kg across sources, reflecting suitability for gasification. Microstructural analysis revealed less porosity in residential waste sampled at the landfill, which can influence preprocessing efficiency and microbial accessibility. Pathway informed allocations showed that 35 % of MSW is suitable for anaerobic digestion, 36 % for gasification, and 18 % for recycling, leaving 11 % requiring landfill disposal. These results provide quantitative evidence to determine feedstock allocation, waste-to-energy system design, and the development of data-driven sustainability and resource recovery strategies within a circular bioeconomy.

09 BIOMASS FUELS↗
DOE OSTI2025

Probing Operando Electrochemical Strain Generation in α-NaFeO 2 Composite Cathodes during Cycling of Na-Ion Batteries

The transition metal oxide (TMO) cathodes in Na-ion batteries suffer from low-capacity retention. Chemo-mechanical instabilities lead to the deterioration of the electrochemical performance of TMO cathodes in Li-ion batteries. However, there is not much known about the chemo-mechanical instabilities in the TMO cathodes for Na-ion batteries. Understanding the governing forces behind the interplay between the electrochemical performance and mechanical stability in TMO cathodes is critical for the development of Na-ion batteries. Here, we synchronize the digital image correlation (DIC) technique with electrochemical analysis to capture the real-time deformation behavior of the α-NaFeO 2 cathodes during cycling. When the charge cutoff voltage is 3.6 V, the cathode experiences reversible deformations (except for the first cycle). There is negative strain (shrinkage) generation during Na extraction and positive strain (expansion) generation during the subsequent Na insertion. A detailed analysis of the potential-dependent strain rate evolution points out complicated phase transformations and nonequilibrium conditions in the α-NaFeO 2 cathodes during cycling. When the charge cutoff voltage was increased to 4.2 V, there was a rapid capacity loss and large plastic deformations in the α-NaFeO 2 cathodes. We provide an in-depth discussion about the possible mechanisms behind the chemo-mechanical instabilities in the α-NaFeO 2 . In conclusion, the correlation is critical to develop material-based strategies to mitigate instability mechanisms in TMO cathodes for Na-ion batteries.

Wable, Minal [University of Maryland Baltimore Cou↗