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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Effect of grain-boundary θ-Al 2 Cu precipitates on tensile and compressive creep properties of cast Al–Cu–Mn–Zr alloys

Tensile and compressive creep tests were performed at 300 °C on high-temperature Al–Cu–Mn–Zr (ACMZ) alloys with 6 wt% Cu (6Cu) and 9 wt% Cu (9Cu) to evaluate the effect on creep properties of micron-size θ-Al 2 Cu intergranular precipitates. For compressive creep, the increased volume fraction of θ-precipitates at grain boundaries (from ~0.7% in 6Cu to ~ 6% in 9Cu) does not affect deformation rates across the investigated stress range of 15–110 MPa, consistent with creep being controlled by submicron θ'-Al 2 Cu precipitates within grains, whose size and fractions are the same in both alloys. In contrast, for tensile creep, 9Cu creeps faster than 6Cu at stresses above 20 MPa, and this difference increases with the stress level. Additionally, this discrepancy between tensile and compressive creep behavior is explained by cavitation during tensile creep, which is favored by higher volume fraction and larger size of intergranular θ precipitates in 9Cu. Conversely, larger precipitates impede cavity linkage resulting in improved creep ductility of 9Cu as compared to 6Cu at 300 °C.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Considering computational speed vs. accuracy: Choosing appropriate mesoscale RVE boundary conditions

Modeling a material’s microstructure using continuum theories allows for inspection of the relationship between coarse scale and fine scale behaviors. Computational limits generally require selection of a sub-volume from a bulk sample in order to directly model the microstructure. Boundary conditions are applied to the sub-volume to mimic the excluded bulk material. Appropriate selection of boundary conditions helps effectively determine the appropriate spatial scale required of the sub-volume. Applicable boundary conditions include direct displacement, periodic, and uniform traction. While direct displacement and periodic boundary conditions are commonly used, uniform traction boundary conditions have seen limited use due to rigid body stability issues in simulations of compression or shear deformation. A new application of uniform traction boundary conditions was developed through linear constraint equations, similar to approaches employed by direct displacement and periodic boundary conditions, to quench rigid body motions with minimal interference of the relative deformation of the model. These boundary conditions were tested by compressing several synthetically generated periodic microstructures using the finite element method. Evaluating the effective stiffness along the compression axis, the direct displacement boundary condition produced the stiffest response, whereas the uniform traction boundary condition produced the most compliant. Periodic boundary conditions produced the same response for all volumes analyzed and both the direct displacement and uniform traction boundary conditions trended toward the periodic response as the domain volume increased. Computational performance was also evaluated for each boundary condition using implicit and explicit solvers. Direct displacement boundary conditions presented the lowest computational cost of all of the boundary conditions followed by periodic then uniform traction. The computational expense of periodic and uniform traction boundary conditions limited the viable spatial scale and mesh resolutions able to be simulated. Selection of appropriate boundary conditions for specific uses need to be a balance between allowable computational expense and accuracy of the method. Techniques for evaluating which boundary conditions to use are discussed.

42 ENGINEERING↗
DOE OSTI2020

Scalability of OpenFOAM Density-Based Solver with Runge–Kutta Temporal Discretization Scheme

Compressible density-based solvers are widely used in OpenFOAM, and the parallel scalability of these solvers is crucial for large-scale simulations. In this paper, we report our experiences with the scalability of OpenFOAM’s native rhoCentralFoam solver, and by making a small number of modifications to it, we show the degree to which the scalability of the solver can be improved. The main modification made is to replace the first-order accurate Euler scheme in rhoCentralFoam with a third-order accurate, four-stage Runge-Kutta or RK4 scheme for the time integration. The scaling test we used is the transonic flow over the ONERA M6 wing. This is a common validation test for compressible flows solvers in aerospace and other engineering applications. Numerical experiments show that our modified solver, referred to as rhoCentralRK4Foam, for the same spatial discretization, achieves as much as a 123.2% improvement in scalability over the rhoCentralFoam solver. As expected, the better time resolution of the Runge–Kutta scheme makes it more suitable for unsteady problems such as the Taylor–Green vortex decay where the new solver showed a 50% decrease in the overall time-to-solution compared to rhoCentralFoam to get to the final solution with the same numerical accuracy. Finally, the improved scalability can be traced to the improvement of the computation to communication ratio obtained by substituting the RK4 scheme in place of the Euler scheme. All numerical tests were conducted on a Cray XC40 parallel system, Theta, at Argonne National Laboratory.

Li, Sibo↗
DOE OSTI2025

Influence of gradation on shear behavior and pore water response of sand

Here, this paper examines the influence of particle size distribution (PSD) on the shearing behavior of sand using axisymmetric triaxial compression (ATC) testing in conjunction with 3D imaging using synchrotron micro-computed tomography (SMT). Angular sand was sieved to obtain a narrow gradation (uniform) and a wide gradation (non-uniform) with uniformity coefficients (C u ) of 1.2 and 3.0, respectively. Experiments were conducted under drained conditions and a constant effective cell pressure (σ$^{'}_3$) of 50 kPa at low and high back pressures (BP). Results of paired ATC-SMT were analyzed in terms of global constitutive behavior, strain localization, and localized flow characteristics. A new particle tracking algorithm is developed to expose strain localization. Relative particle translation gradient (RPTG) results revealed that gradation affects how early the shear band develops and a tendency for narrow gradation to exhibit varying degrees of diffused shear band at high axial strain (ε 1 ) even though a clear single shear band was observed at the peak strength. Geometric tortuosity (τ) is used as a quantitative parameter to assess flow changes and the efficiency of the flow path. Representative elementary volumes (REVs) inside and outside the shear band were analyzed and the results showed a variation in flow path characteristics where wide gradation specimens had preferential flow paths.

Computed tomography↗
DOE OSTI2020

Degradation in photovoltaic encapsulation strength of attachment: Results of the first PVQAT TG5 artificial weathering study

Delamination of the encapsulant in photovoltaic (PV) module technology results in immediate optical loss and may enable subsequent corrosion or mechanical damage. The effects of artificial weathering were not previously known; therefore, an empirical study was performed to survey the factors most affecting adhesion, including the ultraviolet (UV) source (ie, Xe or fluorescent lamp[s]), the optical filters for the lamp, the chamber temperature, and the relative humidity. Natural weathering was also performed at locations, including the following: Golden, Colorado; Miami, Florida; Phoenix, Arizona; QiongHai, China; Riyadh, Saudi Arabia; and Turpan, China. Specimens were constructed using a laminated glass/poly (ethylene-co-vinyl acetate)/glass geometry. The compressive shear test (CST) was used to quantify the mechanical strength of attachment, taken as a proxy for adhesion. The fractography of select specimens (including cross-sectional optical microscopy) was used to verify the failure mode (delamination or decohesion). Additional analysis of the local solar spectrum as well as the specimen temperature was performed to interpret the results of natural weathering. The goals of this study include to identify the most significant stressors, clarify where strong coupling may occur between stressors, and validate accelerated test results relative to natural weathering. The importance of specimen conditioning (for moisture) and hygrometric degradation as well as the effects of UV degradation are identified in this paper.

14 SOLAR ENERGY↗
DOE OSTI2022

Residual fracture energy of natural and recycled aggregate concrete after exposure to high temperatures

Abstract Fracture energy ( G F ) represents the average total energy consumed in the whole process of crack propagation. Using one parameter of G F , it is not sufficient to describe the fracture behavior during crack stable and unstable propagation periods. In this study, the G F , stable fracture energy ( G FS ) and unstable fracture energy ( G FU ) of natural and recycled aggregate concrete (RAC) were investigated by using three‐point bending tests. Totally, 128 cubic specimens (100 mm × 100 mm × 100 mm) and 64 notched beams with size of 510 mm × 100 mm × 100 mm were manufactured to test the compressive strength ( f cu ), splitting tensile strength ( f t ), load–deflection (P‐δ), and load‐cracking mouth opening displacement (P‐CMOD) curves, considering different replacement levels (0%, 30%, 70%, and 100%) of recycled coarse aggregate (RA) and high temperatures exposure (20, 100, 200, and 300°C). The effects of RA substitutions and temperatures on basic mechanical properties, G F , G FS , and G FU were analyzed. The results demonstrated that the f cu , f t , and elastic modulus ( E ) decreased with the incremental temperature. The G FS of concrete with different RA substitutions first decreased and then increased, and the minimum value appeared at 200°C. The G F and G FU of concrete with different RA substitutions increased with the elevated temperature, and the increase rate decreased with RA substitutions. When the temperature is less than 100°C, the G F and G FU of concrete remained mostly unchanged with the increase of RA substitutions, while the temperature reached 200 and 300°C, the G F and G FU of concrete increased and decreased with the increase of RA substitutions, respectively.

Chen, Wei↗
DOE OSTI2021

Enhanced work hardening from oxygen-stabilized ω precipitates in an aged metastable β Ti-Nb alloy

High levels of oxygen in solid solution in Ti alloys are considered detrimental to mechanical properties because of embrittlement concerns. In metastable β titanium alloys, the formation of isothermal ω precipitates is also known to cause severe embrittlement and ductility reduction. However, oxygen has been shown to partition to the ω phase during ageing, and this partitioning behavior may potentially impact ω’s mechanical contribution. Using micropillar compression, we compared the deformation behavior of Ti-20Nb (at. %) with oxygen-stabilized ω precipitates to the behavior of oxygen-free specimens. The oxygen-stabilized microstructures showed increased compressive yield strength and enhanced work hardening behavior compared to oxygen-free specimens. In the absence of oxygen, the compressed pillars showed slip band formation and catastrophic failure, and transmission electron microscopy imaging revealed that ω precipitates were sheared within the continuous deformation channels resulting in slip localization. In contrast, oxygen-stabilized ω precipitates were harder to shear and the formation of continuous deformation channels was suppressed during compression, leading to improved work hardening behavior up to 15% strain. Furthermore, this counter-intuitive role of oxygen may offer design strategies to address the significant embrittlement and loss of ductility observed for ω-strengthened β Ti alloys without oxygen and avenues to expand the use of β Ti alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Multi-scale investigation on mechanical behavior and microstructural alteration of C-S-H in carbonated Alite paste

Carbonation treatment is a promising option to enhance recycled concrete aggregate (RCA) quality and eventually improve concrete performance. This study investigated the multi-scale mechanical properties of calcium silicate hydrates (C-S-H) in a mature alite paste subjected to accelerated carbonation treatment by testing macro compressive strength, microhardness and nanoindentation. The results show that, carbonation treatment resulted in a heterogeneous distribution of carbonation products in the alite sample. Reinforcement of C-S-H by the randomly precipitated calcite and vaterite crystals prevailed over the nano-structural and compositional alteration of C-S-H induced by carbonation, leading to an increase of nano-indentation modulus at the edge of the sample. Also, the microhardness at the edge zone was markedly higher than that at the core of the carbonated sample. The carbonated peripheral zone with improved nano-scale modulus and microhardness was likely serving as a “hard shell”, contributing to the improved macro compressive strength. The new insights into the multi-scale mechanical properties of carbonated C-S-H contribute to further understanding of the enhanced properties of RCA after carbonation treatment.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Orientation-selected micro-pillar compression of additively manufactured 316L stainless steels: Comparison of as-manufactured, annealed, and proton-irradiated variants

In this work, irradiation response and deformation mechanisms of additively manufactured (AM) 316L stainless steel were studied by atomic scale characterization and micro-pillar compression. The AM 316L stainless steels were fabricated by direct energy deposition, a laser-based additive manufacturing process. Irradiation with 2 MeV protons at 360°C was performed to create ~1.8 displacements-per-atom (dpa) damage in AM 316L. Deformation behaviors of the as-manufactured, annealed, and proton-irradiated variants were studied, focusing on the effects of manufacturing-induced pores, residual stress, and irradiation-introduced defects (dislocation loops and voids). Micro-pillars were prepared from grains of pre-selected orientation, avoiding contributions of grain boundaries and allowing determination of resolved shear stress on {111} glide planes. Transmission electron microscopy was used to characterize the pre- and post-deformation microstructure. It was found that in the as-manufactured alloy variant, moving dislocations were the major deformation carrier, with noticeable blocking by fabrication-induced pores, In the annealed variant, hardness was reduced, and deformation was also accomplished by dislocation gliding. In the proton-irradiated variant, significant twinning was observed. Comparing measured resolved shear stress and predicted critical stress for dislocation dissociation, we conclude that irradiation hardening became high enough to activate twinning. Therefore, the deformation mechanism changes from dislocation gliding to twinning. The study is important for both processing optimization and performance evaluation of AM alloys for reactor applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mapping 3D grain and precipitate structure during in situ mechanical testing of open-cell metal foam using micro-computed tomography and high-energy X-ray diffraction microscopy

Open-cell metal foams are ultra-low-density cellular metals with complex hierarchical structures that span bulk, cell, ligament, and sub-ligament scales and give rise to desirable properties such as high strength-to-weight ratio and excellent energy absorption. Although literature suggests that intrinsic material structures at sub-ligament length scales (e.g., grains and precipitates) play an important role in mechanical behavior of open-cell metal foams, there are very few experimental measurements of such structures in three dimensions and for meaningful volumes of foam. This study seeks to map and track the three-dimensional (3D) grain and precipitate structures of an intact volume of open-cell aluminum foam by advancing microstructural characterization techniques that leverage X-ray micro-computed tomography (μCT) and far-field high-energy X-ray diffraction microscopy (FF-HEDM). A 6%-relative-density aluminum foam sample was mechanically tested in compression while μCT and FF-HEDM measurements were collected at interrupted loading states at beamline 1-ID of the Advanced Photon Source. Further, a new scanning strategy and reconstruction algorithm were established to enable characterization of a foam volume with diameter approximately four times wider than the nominal width of the X-ray beam. The result is a set of maps that detail both the 3D grain and precipitate structures throughout the foam volume at successive strain steps. A novel grain tracking procedure was developed to track individual grains within the foam volume by accounting for the large rigid-body motions that individual ligaments can undergo during mechanical loading. The ability to track grains and precipitate structures in three dimensions throughout large bulk deformation of ultra-low-density polycrystalline materials enables new possibilities for validating numerical models and investigating local failure mechanisms. Furthermore, the methods and procedures developed in this study could be applied to other ultra-low-density structures, such as additively manufactured lattices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Cost-efficient temperature mediation of DPMS synthesis in flow using continuous flow chemistry

An efficient synthesis of diphenylmethylsilanol (DPMS) utilizing continuous flow chemistry was performed using a coil reactor and an ice bath. The inclusion of careful temperature control minimized the exothermic production of an unwanted dimer. Yields of up to 88% were obtained and dimer formation as low as 2.2% was confirmed by NMR. This material will be used in the formulation to make SX358 and its physical and chemical characteristics will be determined using DSC, DMA, TMA, compression set testing and FTIR.

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

Embedded Sensing in Additive Manufacturing Metal and Polymer Parts: A Comparative Study of Integration Techniques and Structural Health Monitoring Performance

This study presents a comparative evaluation of post-process sensor integration in additively manufactured (AM) metal and the in-situ process for polymer structures for structural health monitoring (SHM), with an emphasis on embedded sensors. Geometrically identical specimens were fabricated using copper via metal fused filament fabrication (FFF) and PLA via polymer FFF, with piezoelectric transducers (PZTs) inserted into internal cavities to assess the influence of material and placement on sensing fidelity. Mechanical testing under compressive and point loads generated signals that were transformed into time–frequency spectrograms using a Short-Time Fourier Transform (STFT) framework. An engineered RGB representation was developed, combining global amplitude scaling with an amplitude-envelope encoding to enhance contrast and highlight subtle wave features. These spectrograms served as inputs to convolutional neural networks (CNNs) for classification of load conditions and detection of damage-related features. Results showed reliable recognition in both copper and PLA specimens, with CNN classification accuracies exceeding 95%. Embedded PZTs were especially effective in PLA, where signal damping and environmental sensitivity often hinder surface-mounted sensors. This work demonstrates the advantages of embedded sensing in AM structures, particularly when paired with spectrogram-based feature engineering and CNN modeling, advancing real-time SHM for aerospace, energy, and defense applications.

additive manufacturing↗
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 OSTI2022

Effect of Moisture and Feedstock Variability on the Rheological Behavior of Corn Stover Particles

Continuous feeding, processing, and handling of biomass powders is pivotal to the economic viability of integrated biorefineries. However, current challenges associated with the operational reliability of bulk solids handling and transport greatly impact the process economics and ultimately the widespread commercialization of integrated biorefineries. In this work, we examine the effect of moisture and feedstock variability on the flow behavior of corn stover biomass particles. The total flow energy, compressibility, shear properties, and wall friction angles were measured for corn stover samples A and B containing 0%, 15%, 25%, 50%, and 75% (mass fraction) moisture contents using a FT4 powder rheometer. In general, the flowability of both A and B was reduced when moisture was present as indicated by the stability and variable flow rate, compressibility, and shear tests. The 15% moisture sample had the highest flow energy, revealing the interplay between the increased surface tension and looser packing both of which were caused by liquid bridging. The 75% moisture sample had the highest compressibility and the lowest flowability factor (ff c ). The trend in wall friction angle was found to be dependent upon the surface hydrophobicity of the wall material. The wall friction angle on the hydrophilic, stainless-steel surface increased with moisture and therefore poses additional handling challenges. On the other hand, the wall friction angle on the hydrophobic polymer surfaces were the lowest for samples with intermediate moisture contents. Sample B had greater bulk density, smaller compressibility, and greater flowability than the sample A , as suggested by the compressibility and shear tests. The wall friction angle of sample B was higher than or equal to that of sample A depending on both the type and the surface roughness of the wall material.

09 BIOMASS FUELS↗
DOE OSTI2023

Exploring pressure-dependent inelastic deformation and failure in bonded granular composites: An energetic materials perspective

In polymer-filled granular composites, damage may develop in mechanical loading prior to material failure. Damage mechanisms such as microcracking or plastic deformation in the binder phase can substantially alter the material’s mesostructure. For energetic materials, such as solid propellants and plastic bonded explosives, these mesostructural changes can have far reaching effects including degraded mechanical properties, potentially increased sensitivity to further insults, and changes in expected performance. Unfortunately, predicting damage is nontrivial due to the complex nature of these composites and the entangled interactions between inelastic mechanisms. In this work, we assess the current literature of experimental knowledge, focusing on the pressure-dependent shear response, and propose a simple simulation framework of bonded particles to study four limiting-case material formulations at both meso- and macro-scales. Further, to construct the four cases, we systematically vary the relative interfacial strength between the polymer binder and granular filler phase and also vary the polymer’s glass transition temperature relative to operating temperature which determines how much the binder can plastically deform. These simulations identify key trends in global mechanical response, such as the emergence of strain hardening or softening regimes with increasing pressure which qualitatively resemble experimental results. By quantifying the activation of different inelastic mechanisms, such as bonds breaking and plastically straining, we identify when each mechanism becomes relevant and provide insight into potential origins for changes in mechanical responses. The locations of broken bonds are also used to define larger, mesoscopic cracks to test various metrics of damage. We primarily focus on triaxial compression, but also test the opposite case of triaxial extension to highlight the impact of Lode angle on mechanical behavior.

36 MATERIALS SCIENCE↗