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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Experimental and computational analysis of bending fatigue failure in chopped carbon fiber chip reinforced composites

With a better balance among good mechanical performance, high freedom of design, and low material and manufacturing cost, chopped carbon fiber chip reinforced sheet molding compound (SMC) composites show great potential in different engineering applications. Here in this paper, bending fatigue behaviors of SMC composites considering the heterogeneous fiber orientation distributions have been thoroughly investigated utilizing both experimental and computational methods. First, four-point bending fatigue tests are performed with designed SMC composites, and the local modulus is adopted as a metric to represent the local fiber orientation of two opposing sides. Interestingly, SMC composites with and without large discrepancy in local modulus of opposing sides show different fatigue behaviors. Interrupted tests are conducted to explore the bending fatigue failure mechanism, and the damage processes of valid specimens are also closely examined. We find that the fatigue failure of SMC composites under four-point bending is governed by crack propagation instead of crack initiation. Because of this, the heterogeneous local fiber orientations of both sides of the specimen influence fatigue life. The microstructure of the lower side shows a direct influence while that of the upper side also exhibiting influence which becomes more prominent for high cycle fatigue cases. Furthermore, a hybrid micro–macro computational model is proposed to efficiently study the cyclic bending behavior of SMC composites. The region of interest is reconstructed with a modified random sequential absorption algorithm to conserve all the microstructural details including the heterogeneous fiber orientation, while the rest of the regions are modeled as homogenized macro-scale continua. Combined with a framework to capture the progressive fatigue damage under cyclic bending, the bending fatigue behaviors of SMC composites are accurately captured by the hybrid computational model comparing with our experimental analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Influence of Polymer and Support Interactions on the Electrocatalytic Properties of Heterogenized Molecular Complexes

Heterogenized molecular catalysts have been the subject of increasing interest in the context of electrochemical small molecule activation due to the possibility of active site homogeneity and tunability, which can surpass many nanostructured materials. When molecular catalysts strongly interact with carbon supports through π–π interactions, they tend to show higher selectivity and activity during heterogeneous electrochemical reactions. Indeed, ligand modifications in the secondary sphere that allow for more π–π overlap between catalyst and carbon support often show improved performance. Interactions between catalyst and polymer binder are also a possible modulus of control in these reactions, either through coordinating moieties that interact with active sites or through control over substrate or product transport. Finally, the covalent linking of molecular complexes onto carbon materials has also been shown to result in high activity and stability. Recent advances in the use of carbon supports, both through covalent and non-covalent interactions, and polymers to alter small molecule activation by heterogenized molecular catalysts are summarized in this Perspective.

Johnson, Elizabeth K. [University of Virginia, Cha↗
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 OSTI2020

Effects of particle inclusions on cracking in ultrathin barrier films

Here, the effects of particle inclusions with different mechanical properties on the development of cracks in ultra-thin barrier films have been studied. Two types of particles, alumina and poly(styrene-b-methyl methacrylate) with large differences in their elastic modulus were used, representing both hard and soft inclusions. Particles were seeded onto polyethylene naphthalate substrates and subsequently coated with atomic layer deposited Al 2 O 3 as a barrier film. Ca corrosion tests used to determine the performance of the barrier films revealed that soft polymer particle inclusions severely affect the development of cracking in barrier films as compared to stiff ceramic particles. Tensile tests also confirmed that the barrier films with polymer particle inclusions have the lowest value of critical onset strain. Parametric simulations, conducted by varying the elastic modulus of the particle inclusions over a wide range, resulted in a larger strain energy release rate near particle inclusions which promotes crack formation and negatively impacts the performance of barrier films with softer particle inclusions. Thus, the combination of high residual stresses in the barrier films with the presence of soft particle inclusions is found the most detrimental for the development of high-performance ultrathin barrier films.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Understanding Geometry and Microstructure Interactions In LPBF By Linking Lab Scale Studies To Real Part Case Examples

The mechanical properties derived from simple tensile tests are uniquely important in the design and qualification of load bearing metallic components. The tensile properties in standards for wrought metallic materials are generally accessible for design and simulation engineers, but this is not the case for additively manufactured metals. This work investigates the influence of tensile specimen geometry on the mechanical properties of laser powder bed fusion (LPBF) additively manufactured Ti-6Al-4V, particularly in relation to properties measured from specimens excised from an exemplar part. A comprehensive analysis was conducted across various specimen geometries, considering factors such as thermal history, cross-sectional area, shape, and surface roughness. Key findings reveal that sample size, particularly cross-sectional area, significantly affects reported tensile properties, with ASTM E8 flat and round specimens exhibiting differences in elastic modulus (13%), yield strength (17%), ultimate tensile strength (UTS) (14%), and elongation to failure (11%). Additionally, surface roughness was found to have a limited impact on ASTM round geometries, but it becomes critical in thin-walled and small high-throughput samples. The ASTM flat samples closely matched the properties of samples excised from the exemplar part, underscoring the necessity of testing witness samples that accurately represent end-use conditions. Furthermore, mechanical properties of samples built within the stitch zone of the exemplar part demonstrated reduced ductility, highlighting the importance of laser alignment and qualification in multi-laser additive manufacturing processes. Overall, this study emphasizes the need for careful consideration of specimen geometry and testing conditions to ensure accurate reporting of mechanical properties in LPBF Ti-6Al-4V.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Phase comparison and equation of state for Ta 2 O 5

Abstract Tantalum pentoxide (Ta 2 O 5 ) is among the most technologically useful heavy transition metal oxides. Unfortunately, its crystal structure is the subject of long-standing and unresolved disagreement. Among other consequences, this uncertainty has made it impossible to formulate a robust high pressure equation of state for Ta 2 O 5 . Here, we report the results of high pressure x-ray diffraction experiments indexed against a comprehensive list of proposed Ta 2 O 5 phases. Five of the proposed phases produce good matches to experimental observations, and the compressibility parameters for these phases are all consistent within uncertainty. This means that regardless of the particular phase chosen, the Ta 2 O 5 equation of state can be described with bulk modulus K 0 = 138 ± 3.68 GPa and pressure derivative K 0 ′ = 1.82 ± 0.45 . Combining these experimental results with new density-functional theory calculations allows us to identify the λ phase as the best structural model of Ta 2 O 5 at ambient conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Designing an Optimal LSST Deep Drilling Program for Cosmology with Type Ia Supernovae

The Vera C. Rubin Observatory's Legacy Survey of Space and Time (LSST) is forecast to collect a large sample of Type Ia supernovae (SNe Ia) expected to be instrumental in unveiling the nature of dark energy. The feat, however, requires accurately measuring the two components of the Hubble diagram, distance modulus and redshift. Distance is estimated from SN Ia parameters extracted from light-curve fits, where the average quality of light curves is primarily driven by survey parameters. An optimal observing strategy is thus critical for measuring cosmological parameters with high accuracy. We present in this paper a three-stage analysis to assess the impact of the deep drilling (DD) strategy parameters on three critical aspects of the survey: redshift completeness, the number of well-measured SNe Ia, and cosmological measurements. We demonstrate that the current DD survey plans (internal LSST simulations) are characterized by a low completeness (z ~ 0.55–0.65), and irregular and low cadences (several days), which dramatically decrease the size of the well-measured SN Ia sample. We propose a method providing the number of visits required to reach higher redshifts. We use the results to design a set of optimized DD surveys for SN Ia cosmology taking full advantage of spectroscopic resources for host galaxy redshift measurements. The most accurate cosmological measurements are achieved with deep rolling surveys characterized by a high cadence (1 day), a rolling strategy (at least two seasons of observation per field), and ultradeep (z ≳ 0.8) and deep (z ≳ 0.6) fields. A deterministic scheduler including a gap recovery mechanism is critical to achieving a high-quality DD survey.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Carbon-Sequestration Straw Cellulose-Aerogel Gradient Thermal Insulation Material

Green superinsulation materials are essential for net-zero sustainable building envelopes. Realizing such potential is indispensable for simultaneously achieving carbon-sequestration and superinsulation performance. Here, we report the synthesis of a water glass-based silica aerogel exhibiting a thermal conductivity of 17.2 mW/m·K and a high porosity of 92%. Here, we used carbon-sequestration wheat straw fiber to create a gradient cellulose-aerogel composite to improve mechanical stability. The as-prepared gradient composite exhibits a thermal conductivity of 27.1 mW/m·K and a flexural modulus of 824 MPa, while exhibiting superhydrophobicity (water contact angle of 135.4°) for the development of green building insulation materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Nanocrystalline strain glass TiNiPt and its superelastic behavior

TiNi-based shape-memory alloys are known to exhibit a strain glass state under certain conditions, generally in the presence of high-density defects such as excess solute atoms or alloying elements, dislocations, and nanoprecipitates. In this paper, we report a strain glass transition in a nanocrystalline Ti 50 Ni 35 Pt 15 alloy. The nanocrystalline strain glass state is achieved by a combined effect of high-density grain boundaries and high concentration doping of Pt atoms in the B2 matrix. The nanocrystalline Ti 50 Ni 35 Pt 15 strain glass alloy showed a large near-complete progressive superelasticity with a recovery strain of about 6% and a low apparent Young's modulus of about 30 GPa in a wide temperature range of over 200 °C. In situ synchrotron x-ray diffraction measurement showed that the strain glass B2 [B2(SG)] phase experienced B2(SG)→R→B19 transformation upon loading and B19→B2(SG) upon unloading. The findings of this study provide insight for the development of nanocrystalline strain glass shape-memory alloys.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Coal to Carbon Fiber (C2CF) Continuous Processing for High Value Composites (Final Report)

Coal tar is a condensed and recovered by-product of the coking of metallurgical coal for steel production. The heaviest fraction of distilled coal tar is an isotropic pitch largely used as a binder in the manufacturing of carbonaceous electrodes for primary aluminum smelting and in electric arc furnaces. Coal tar pitch offers high carbon yield upon carbonization. In this project, a process to convert the domestically sourced isotropic coal tar pitch, containing very low particulates (QI = 0.32 wt.%), to form flow-domain mesophase pitch amenable for melt spinning into precursor (green) fibers for carbon fiber, was developed and optimized. The final reproducible processing developed is reviewed in this report, along with several characterizations of the mesophase pitch. A final definition of the characteristics of a ‘spinnable’ mesophase pitch is presented. With this mesophase pitch, reproducible and stable multifilament melt spinning was developed, producing green fiber tows with filament diameters of approximately 20 m. The multifilament melt spinning was the most challenging aspect of the project and required the most effort. The best practices learned from this project for melt spinning are reviewed in this report. Once spun, the green fibers were oxidatively stabilized, carbonized and graphitized under inert gas atmosphere to form the final carbon fibers. Given the relatively high softening point of the mesophase pitch, no issues of interfilament fusion were observed during batch oxidation, and subsequent batch carbonization and graphitization went smoothly in all cases. An ~ 80 wt.% conversion of the green fiber mass to final carbon fiber was achieved. After graphitization, the carbon fibers showed high tensile moduli (most were ~ 600 GPa, or 87 Msi) consistent with commercially-available high-performance pitch-based carbon fiber. However, tensile strength and strain to failure were comparatively low. Further work to reduce defects in and on the fiber surfaces would increase these properties. SEM imaging of the graphitic fiber textures is presented herein. Rudimentary composites were fabricated from the carbon fibers and characterized showing similar modulus to baseline composites fabricated with commercial carbon fiber. Finally, a basic economic analysis was done showing the potential to increase the value of the isotropic coal tar pitch by up to 13.6 to 136 times based on a carbon fiber value of $\$$5/lb to $\$$50/lb, respectively. Moreover, the site case study suggests that the coal tar from the single integrated steel mill could supply production of up to 16 kt/yr of carbon fiber. Finally, a technological gap analysis was done which shed light on remaining technical challenges. These challenges included: recovery and utilization of condensates from the mesophase pitch processing, further advancing and increasing stability of the multifilament melt spinning processing, optimization of the oxidation processing, defect reduction for increased carbon fiber strength, and the development of a weaving process towards carbon fiber fabrics. To maximize the coal value chain, the primary objectives of this project were to (a) develop and scale efficient processing technology for producing melt-spinnable mesophase pitch from isotropic coal tar pitch, (b) clarify and simplify tedious continuous fiber processing technologies (particularly multifilament melt spinning of mesophase pitch) towards the efficient production of high performance carbon fiber, and (c) demonstrate and characterize representative composite parts derived from the final carbon fiber. Immense progress was made on all 3 objectives and is detailed in this report.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

VALVE TIMING AND AREA PROFILE SELECTION FOR HYDRAULIC PUMPS AND MOTORS

A significant amount of research has been conducted to select valve timing and area profiles that create efficient and quiet hydraulic pumps and motors. Numerous active valve architectures have been modeled and optimized, but the rationale for the final solution is often unclear. The solution is usually highly dependent on the modeled valve geometry constraints and the duty cycle of the pump or motor for which the valve was optimized. This paper first presents an ideal valve area profile and what compromises are made to design for a working pressure and speed range. The ideal valve area profile is resolved using a piston-cylinder model with a pressure dependent bulk modulus and variable valve openings. The piston-cylinder is first modeled as a pump with passive (check) valves and a specified pressure drop across the valves to determine the ideal area profile. A generalization of the ideal timing is demonstrated for positive pressure differential and positive rotation direction, also known as the first quadrant. The effects on valve timing when varying pressure are shown for the first quadrant, but the trends can be extrapolated for all quadrants of operation. The ideal valve profile is implemented as fixed valve timing, meaning the valve area is only a function of the timing angle, in a pump-motor. The pump-motor is simulated in one rotation direction through a pressure range. Performance is high in pumping operation, but when the pressure differential is reversed, cylinder pressure spikes ensue. Two strategies to modify an ideal valve area profile are presented: timing grooves and a pressure shifted valve timing. Timing grooves reduce pressure spikes and cavitation in the cylinder but generally increase throttling losses. A pressure shifted valve timing has lower throttling energy losses, making it the favored solution.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Experimental and Computational Studies on Superhard Material Rhenium Diboride under Ultrahigh Pressures

An emerging class of superhard materials for extreme environment applications are compounds formed by heavy transition metals with light elements. In this work, ultrahigh pressure experiments on transition metal rhenium diboride (ReB 2 ) were carried out in a diamond anvil cell under isothermal and non-hydrostatic compression. Two independent high-pressure experiments were carried out on ReB 2 for the first time up to a pressure of 241 GPa (volume compression V/V 0 = 0.731 ± 0.004), with platinum as an internal pressure standard in X-ray diffraction studies. The hexagonal phase of ReB 2 was stable under highest pressure, and the anisotropy between the a-axis and c-axis compression increases with pressure to 241 GPa. The measured equation of state (EOS) above the yield stress of ReB 2 is well represented by the bulk modulus K 0 = 364 GPa and its first pressure derivative K 0 ´ = 3.53. Corresponding density-functional-theory (DFT) simulations of the EOS and elastic constants agreed well with the experimental data. DFT results indicated that ReB 2 becomes more ductile with enhanced tendency towards metallic bonding under compression. The DFT results also showed strong crystal anisotropy up to the maximum pressure under study. The pressure-enhanced electron density distribution along the Re and B bond direction renders the material highly incompressible along the c-axis. Our study helps to establish the fundamental basis for anisotropic compression of ReB 2 under ultrahigh pressures

36 MATERIALS SCIENCE↗
DOE OSTI2023

Strength distributions of laminated FeNi-based metal amorphous nanocomposite ribbons

Metal Amorphous Nanocomposite (MANC) materials offer low losses at high magnetic switching frequency, enabling high power density motors with increased rotational speed. While MANCs have high strength, they are brittle. The use of motor components such as a rotor consisting of brittle material presents a reliability concern. Here, a promising MANC alloy is subjected to tensile tests and failure is observed with high-speed photography. A method is developed to prepare tensile specimens of laminated MANC and epoxy layers, simulating the stacking of an epoxy-impregnated tape-wound core. Tensile tests are conducted for single layer ribbon and for five- and ten-layer stacks of laminated material with thin layers of thermosetting epoxy. Failure distributions are shown to have increasing Weibull modulus with increasing layer count. The composite MANC material system is modeled using chain-of-bundles models. Using a k-failure model, we show that single ribbon strength distribution data can be used to predict well the failure distribution of laminated stacks. The agreement occurs when the assumed ineffective length, over which load is recovered in a failed layer, is comparable to the observed interlaminar separation length.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Mechanical and Thermal Characterization of Additively Manufactured Carbon/Nylon 12 and Carbon/PEEK Composites

This study explores additive manufacturing of carbon fiber-reinforced thermoplastic composites using the Composite-Based Additive Manufacturing (CBAM) process. Carbon/Nylon 12 and Carbon/PEEK composites were fabricated and evaluated through mechanical (compression, tensile, flexural, and impact) and thermal (DSC and TGA) tests. Carbon/PEEK exhibited superior mechanical performance, with 97.5% higher tensile strength, 79.8% higher elastic modulus, and 59.6% higher flexural strength compared to Carbon/Nylon 12. Thermal testing showed that Carbon/PEEK had higher thermal stability, beginning degradation at 350 °C versus 298 °C for Carbon/Nylon. These results indicate that CBAM-fabricated Carbon/PEEK composites are suitable for applications requiring high strength and temperature resistance.

Additive manufacturing↗
DOE OSTI2021

Recycled Cardboard Containers as a Low Energy Source for Cellulose Nanofibrils and Their Use in Poly(l-lactide) Nanocomposites

Cellulose nanomaterials have attracted a great deal of interest as sustainable alternatives to nonrenewable or fossil fuel-derived materials, particularly in composite applications. Cellulose nanofibrils (CNF) are most often derived from wood sources through energy-intensive and costly mechanical fibrillation processes. Here, recycled cardboard, referred to as old corrugated cardboard (OCC), was investigated as an alternate CNF source. OCC is a recycled material that can be obtained at one-tenth the cost of the commonly used bleached softwood Kraft pulp and can be refined to similar levels with nearly one-half of the energy consumption. Additionally, the distinct composition and morphology of OCC-derived CNF provides a more favorable fiber–matrix interface and better reinforcement capabilities of the cellulose nanofibrils in polymer matrices, displaying an over 70% increase in tensile modulus at a loading of 40 wt % with no decrease in tensile strength. When paired with biobased poly(l-lactide) (PLLA), OCC-derived CNF is proven to be an attractive low-cost and low-energy reinforcing agent for sustainable, high performance nanocomposites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Compression behavior of lithium fluoride up to 80 GPa and 2300 K

Here, the high-temperature compression behavior of lithium fluoride (LiF) has been determined to ∼80 GPa and 2300 K by means of high-resolution synchrotron-based x-ray diffraction in a laser-heated diamond-anvil cell. The room-temperature Vinet equation of state (EOS) for LiF yields an isothermal room-temperature, ambient-pressure lattice parameter a 0 = 4.028 (±0.003) Å, volume V 0 = 65.35 (±0.03) Å 3 , bulk modulus K 0 = 67.57 (±0.34) GPa, and its pressure derivative K 0 ’ = 4.64 (±0.03). This expanded experimental dataset is in good agreement with the LiF thermal equation of state by Myint et al. (2019) up to ∼2300 K and 25 GPa. At higher pressures and temperatures our data shows reduced thermal expansion compared to the prediction and may be particularly important for experiments at more extreme conditions.

High-pressure behavior↗
DOE OSTI2021

Anomalous elastic behavior of tantalum at high pressures: Experimental and theoretical studies

Elastic wave velocities of polycrystalline tantalum have been measured up to 13.6 GPa at room temperature using ultrasonic interferometry technique in a multi-anvil apparatus. The bulk and shear moduli, as well as their pressure derivatives are obtained using Eulerian 3rd order finite strain equations, yielding K S0 = 193.9(29) GPa, G 0 = 69.3(10) GPa, K S0' = 3.18(5) and G 0' = 0.88(1). Here the Steinberg-Guinan yield stress model is examined using the current shear modulus and its pressure derivative, where a slightly lower A 0 = 0.0127 GPa –1 compared to previous studies is obtained. First-principles calculations on the elasticity of tantalum have also been performed up to 200 GPa. Anomalous softening of the elastic shear constant C 44 and shear wave velocity V S is observed between 80– 180 GPa, whereas the anisotropy shows a softening-stiffening behavior with increasing pressure and reaches a minimum at around 150 GPa. Such anomalies might commonly originate from the nesting of Fermi surface for Group VB metals.

36 MATERIALS SCIENCE↗
DOE OSTI2023

High temperature annealing of irradiated nuclear grade graphite

Previous work has shown that the material properties of nuclear grade graphite are substantially affected by the atomic and microstructural changes that occur during neutron-irradiation. The parameters that play a role in these changes are irradiation dose, temperature, graphite composition and the initial microstructure of the graphite. Understanding the details of how these material changes occur and exactly what the changes consists of will enable the prediction of the material property changes as a function of these variables. Other work has shown these atomic level and microstructural changes can be healed or annealed out by raising the irradiated graphite above its irradiation temperature. Here in this work, experiments were carried out to investigate how the properties of irradiated graphite recover when heated. By showing property recovery as a function of annealing temperature or energy, insight is provided into the type of damage that occurred during neutron-irradiation. The data presented here shows recovery of thermal diffusivity, coefficient of thermal expansion, Young's modulus and electrical resistivity between annealing temperatures of 500 °C and 2380 °C. Graphite grades NBG-18, IG-110 and PCEA are considered that were both stressed and unstressed during irradiation.

36 MATERIALS SCIENCE↗