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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Toughening Brittle Bio‐P3HB with Synthetic P3HB of Engineered Stereomicrostructures

Abstract Poly(3‐hydroxybutyrate) (P3HB), a biologically produced, biodegradable natural polyester, exhibits excellent thermal and barrier properties but suffers from mechanical brittleness, largely limiting its applications. Here we report a mono‐material product design strategy to toughen stereoperfect, brittle bio or synthetic P3HB by blending it with stereomicrostructurally engineered P3HB. Through tacticity ([ mm ] from 0 to 100 %) and molecular weight ( M n to 788 kDa) tuning, high‐performance synthetic P3HB materials with tensile strength to ≈30 MPa, fracture strain to ≈800 %, and toughness to 126 MJ m −3 (>110× tougher than bio‐P3HB) have been produced. Physical blending of the brittle P3HB with such P3HB in 10 to 90 wt % dramatically enhances its ductility from ≈5 % to 95–450 % and optical clarity from 19 % to 85 % visible light transmittance while maintaining desirably high elastic modulus (>1 GPa), tensile strength (>35 MPa), and melting temperature (160–170 °C). This P3HB‐toughening‐P3HB methodology departs from the traditional approach of incorporating chemically distinct components to toughen P3HB, which hinders chemical or mechanical recycling, highlighting the potential of the mono‐material product design solely based on biodegradable P3HB to deliver P3HB materials with diverse performance properties.

Zhang, Zhen↗
DOE OSTI2023

Toughening Brittle Bio‐P3HB with Synthetic P3HB of Engineered Stereomicrostructures

Abstract Poly(3‐hydroxybutyrate) (P3HB), a biologically produced, biodegradable natural polyester, exhibits excellent thermal and barrier properties but suffers from mechanical brittleness, largely limiting its applications. Here we report a mono‐material product design strategy to toughen stereoperfect, brittle bio or synthetic P3HB by blending it with stereomicrostructurally engineered P3HB. Through tacticity ([ mm ] from 0 to 100 %) and molecular weight ( M n to 788 kDa) tuning, high‐performance synthetic P3HB materials with tensile strength to ≈30 MPa, fracture strain to ≈800 %, and toughness to 126 MJ m −3 (>110× tougher than bio‐P3HB) have been produced. Physical blending of the brittle P3HB with such P3HB in 10 to 90 wt % dramatically enhances its ductility from ≈5 % to 95–450 % and optical clarity from 19 % to 85 % visible light transmittance while maintaining desirably high elastic modulus (>1 GPa), tensile strength (>35 MPa), and melting temperature (160–170 °C). This P3HB‐toughening‐P3HB methodology departs from the traditional approach of incorporating chemically distinct components to toughen P3HB, which hinders chemical or mechanical recycling, highlighting the potential of the mono‐material product design solely based on biodegradable P3HB to deliver P3HB materials with diverse performance properties.

Chemistry↗
DOE OSTI2022

Mesoscale simulations of pressure-shear loading of granular tungsten carbide

Numerical simulations of pressure-shear loading of a granular material are performed using the shock physics code CTH. A simple mesoscale model for the granular material is used that consists of a randomly packed arrangement of solid circular or spherical grains of uniform size separated by vacuum. The grain material is described by a simple shock equation of state, elastic perfectly plastic strength model, and fracture model with baseline parameters for WC taken from previous mesoscale modeling work. Simulations using the baseline material parameters are performed at the same initial conditions of pressure-shear experiments on dry WC powders. Except for some localized flow regions appearing in simulations with an approximate treatment of sliding interfaces among grains, the samples respond elastically during shear, which is in contrast to experimental observations. By extending the simulations to higher shear wave amplitudes, macroscopic shear failure of the simulated samples is observed with the shear strength increasing with increasing stress confinement. The shear strength is also found to be strongly dependent on the grain interface treatment and on the fracture stress of the grains, though the variation in shear strength due to fracture stress decreases with increasing stress confinement. At partial compactions, the transverse velocity histories show strain-hardening behavior followed by formation of a shear interface that extends through the transverse dimensions of the sample. Near full compaction, no strain hardening is observed and, instead, the sample transitions sharply from an elastic response to formation of an internal shear interface. Agreement with experiment is shown to worsen with increasing confinement stress with simulations overpredicting the shear strengths measured in experiment. The source of the disagreement can be ultimately attributed to the Eulerian nature of the simulations, which do not treat contact and fracture realistically.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Impact Response of Control Atmosphere Plasma Spray Deposited Materials

Thermal spray processing of metals and respective blends is becoming increasingly attractive due to the unique properties such as increased yield strength, low ductility, and differences in tensile and compressive strengths that result from microstructural features due to the spray process compared to other additive manufacturing methods. Here we report the results of plate impact experiments applied to Controlled Atmosphere Plasma Spray deposits of tantalum (Ta), niobium (Nb), and a tantalum-niobium blend (TaNb). These methods allowed for definition of the Hugoniot for each material type and the assessment of the Hugoniot Elastic Limit (HEL). Spallation experiments were conducted, and soft recovery of each material type allowed for scanning electron microscopy to characterize the fracture mechanism during tensile loading.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Fracture toughness and crack propagation in LX-17 and PBX 9502 insensitive high explosives

High explosive materials, and in particular insensitive high explosive (IHE) materials, are of significant interest. TATB-based LX-17 and PBX 9502 are two IHE’s and mechanical properties are an important metric of performance. In this work we present, for the first time, a study of fracture as a function of temperature and displacement rate and starter crack length on billet pressed IHE materials using a standard three point bend technique. We demonstrated that the technique can yield consistent results over time by measuring samples from the same lots 4 years later and observed that the fracture toughness of LX-17 and PBX 9502 are similar. We also determined the temperature dependence for different starter crack lengths and found that the fracture toughness generally decreases with larger starter crack sizes and temperatures. For the LX-17, where a wide temperature range of -60 C to 50 C was investigated, the impact of temperature on fracture toughness between -20 C and 23 C was less than expected. For the PBX 9502 we observed the difference in fracture toughness values between -20 C and 23 C did depend on the particular lot, and also there was a tendency of the fracture toughness to scale with the tensile strength. We also investigated the effect of a lower displacement rate and observed that while the impact on the fracture toughness was relatively small, the samples surprisingly did not break (fail) after exceeding the peak load. We took advantage of this to perform x-ray computed tomography (CT) of the samples to image crack propagation in the intact samples. We observed that cracks were generally straight and unaffected by the microstructure in the LX-17, in contrast to the PBX 9502 where the direction of the cracks would frequently change and were likely influenced by the underlying microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Modeling Metallic Fuel using Peridynamics

Based on available modeling and simulation capabilities of peridynamics module in MOOSE framework for oxide fuel, the overall goal of this project is to further develop the peridynamics capabilities for modeling metallic fuel. It includes two major tasks: 1) develop validated scheme to handle the shape tensor singularity due to insufficient active neighbors of a material particle in the peridynamic correspondence model for fracture problems, and 2) develop failure modeling scheme including failure criterion for metallic fuels. Before the peridynamics can be applied to model metallic fuel, the formulation instability of the peridynamic correspondence model should be addressed. The PI first worked on developing new stabilization method to improve the performance of the peridynamic correspondence model and reduce the possibility of getting a singular shape tensor while applying the model for fracture problems. The new stabilization scheme uses bond-associated weight function rather than bond-associated horizon. Compared to bondassociated horizon stabilized method, this new stabilization scheme has better performance with improved prediction accuracy and reduced free surface effect. Using this newly developed stabilization, materials models from BISON can be directly used in peridynamics for metallic fuels, such as fission rate and burnup dependent creep and swell models. Publication of this work is under preparation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

The comparative strength and fracture toughness properties of commercial 95W-3.5Ni1.5Fe and 95W-3.5Ni1.5Cu tungsten heavy alloys

Due to the sharp surface cracks resulting from high and cyclic thermal loads, fracture toughness is a crucial property for fusion divertor materials. Tungsten heavy alloys (WHA) have emerged as a leading candidate for plasma facing component applications. Both the WNiFe and WNiCu WHAs have been considered. However, there is no fracture toughness data in the literature on the WNiCu WHA. Therefore, maximum load elastic–plastic fracture toughness (K Jm ) of a commercial 95W-3.5Ni1.5Cu (NiCu) WHA plate is reported here for the first time. The NiCu WHA K Jm is compared to a corresponding K Jm for commercial 95W-3.5Ni1.5Fe (NiFe) WHA, along with comparisons of their respective microstructures, microhardness, and tensile properties. Although their room temperature yield strengths are similar (≈ 600 MPa), the NiFe WHA has higher ultimate stress (818 MPa vs. 642 MPa) and total elongation (8% vs. 1.2%) compared to the NiCu WHA. Most notably, the room temperature elastic–plastic K Jm for the NiFe WHA of ≈ 80 ± 8 MPa$\sqrt{m}$, is nearly twice that of the NiCu WHA at ≈ 47 ± 4 MPa$\sqrt{m}$. Further, while the NiFe WHA experienced stable ductile tearing, the crack propagated unstably (approximately elastically) after reaching the maximum load in the NiCu WHA. The higher K Jm of the NiFe WHA is attributed to its higher flow stress and ductility, along with the energy dissipation and microcrack dilatational stress shielding, provided by a wide distribution of arrested process-zone microcracks, which are largely absent in the NiCu WHA. Since, the 95W-NiFe WHA has distinctly better mechanical properties than 95W-NiCu WHA, it is a more suitable candidate for the fusion reactor application.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Fracture-matrix fluid exchange in oil-bearing unconventional mudstones

The poromechanical properties of unconventional reservoir materials are in large part dictated by their mineralogy. Since these properties govern the response to stress experienced during hydraulic fracturing, fluid production, and fluid injection, they play a central role in the formation of microcracks or bedding delaminations which ultimately dominate mass transport. In this work we study access to the porosity of end member unconventional reservoir materials, where the end members are predominantly dictated by carbonate content. Access to the porosity is quantified using state of the art 3D x-ray computed tomography coupled with physics informed data analytics. Xenon gas, which attenuates x-rays, provides a spatiotemporal map of access to the porosity. The accessible porosity is quantified over a range of net confining stress relevant to the manmade disturbances listed above. These experiments demonstrate that heavily carbonated mudstones are nearly impermeable at the core (~ cm) scale, while carbonate free analogues afford better access to the microstructure. Consistent with previous qualitative 2D radiographs, access to the interior of the clastic mudstones is first observed along planar microcracks, followed by slow penetration into the surrounding matrix. Physics informed data analytics of the 3D tomography measurements presented here show that these microcracks do not permit uniform access to the adjacent rock matrix. In addition, variation of the effective pressure elucidates the mechanisms that govern fracture/matrix fluid exchange. Under conditions consistent with hydrocarbon production fluid accumulates in the immediate vicinity of the nearest microcrack. While there is clear evidence that, as intended, part of this accumulation is from the more distant matrix, fluid is also squeezed out of the microcrack. The fluid build-up at the microcrack indicates that migration out of the rock is hindered by the coupled poroelastic response of the microcrack and adjacent rock matrix. We show that these mechanisms ultimately account for the meager oil recovery factors realized in practice. These insights have implications for making reservoir scale predictions based on core scale observations, and provide a basis for devising new asset development techniques to access more porosity, and enhance fluid extraction. Finally, these findings shed light on key features and mechanisms that govern shale storage capacity, with relevance to other important industrial processes, such as geologic CO 2 storage.

58 GEOSCIENCES↗
DOE OSTI2022

An IIPG-based finite element framework in MOOSE for modeling fiber reinforced composite failure governed by extrinsic cohesive laws

Fiber reinforced composites (FRC) are widely applied to many important engineering structures such as silicon carbide ceramic matrix composite (SiC CMC) of nuclear fuel claddings. Many material and structure failures are initiated at the interface between two distinctive materials, such as the debonding of interfaces of matrix/fiber of composites or bulk matrix/inclusion in metals at micro-scales. Accurate and robust modeling of these interface failures is critical to the development of novel material and structure with improved functionality. This paper presents a discontinuous Galerkin (DG) finite element method based on the Incomplete Interior Penalty scheme and its implementation in MOOSE for modeling material interface behaviors. The proposed method naturally accommodates important extrinsic cohesive zone material models and is capable of modeling the failures of material interfaces across which material properties are highly distinctive. We demonstrate a good performance of the proposed method using single fiber and multiple fiber debonding problems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Characterization of boundary precipitation in a heavy ion irradiated tungsten heavy alloy under the simulated fusion environment

In the concerted effort to identify materials capable of surviving the adverse environment of a fusion reactor interior, tungsten heavy alloys have been put forth as leading candidates. Experimental trials and behavioral studies have yielded positive results for their adoption by taking advantage of the alloy’s unique balance of inherently high fracture toughness and low sputter yields; yet due to their relative novelty in the fusion community, there remains a lack of understanding on the response of these materials to the extended high temperature irradiation environment of the reactor interior. Further, to alleviate this issue and provide the necessary data on the behavior of tungsten heavy alloys to the simulated fusion environment, a 90W-7Ni-3Fe alloy has been subjected to elevated temperature sequential Ni + and He + ion irradiations to mimic the expected displacement damage and gas production expected after five years of service as a plasma facing material component. Atomic-scale structural analyses and nanoscale chemical mapping have identified the formation of two distinct precipitation structures, a surface localized η-carbide and an a-W 2 C type tungsten carbide, both of which appear to originate at the bi-phase interface between W and the ductile phase. This irradiation assisted and induced precipitate formation respectively is anticipated to adversely affect these materials by selective embrittlement at bi-phase interfaces leading to a reduction in the material’s overall fracture toughness during prolonged high temperature irradiation. It is asserted that any potential exposure to C during fusion reactor operational service should be minimized as to prevent the formation of these phases.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Improving the damage tolerance of Si 3 N 4 by forming laminate composites with refractory metals

The objective of this research was to demonstrate that the damage tolerance of Si 3 N 4 could be significantly improved by forming laminate composites with refractory metals, providing materials that undergo graceful failure, rather than the fast-fracture mechanism exhibited by monolithic Si 3 N 4 . A damage tolerant Si 3 N 4 could be used as a ring material in an all-ceramic bearing, decreasing the chance for catastrophic failure if the ring is stressed in tension during operation. The technical approach formed a laminate composite material using alternating Si 3 N 4 -metallic layers, with both outer layers being Si 3 N 4 to take advantage of its greater wear resistance, chemical stability, and thermal stability. The metallic layers are designed to arrest any cracks in the outer layers, thus producing a toughened Si 3 N 4 and avoiding the catastrophic failure behavior exhibited by monolithic ceramics. The laminate composites were fabricated using a combination of tape-casting Si 3 N 4 and metals from slurries, as well as metal foils, followed by hot pressing at 1500°C. The metallic materials employed were chromium, titanium, and tantalum. Analysis confirmed that the interfaces were well formed, and the laminates with chromium and titanium formed intermetallic compounds more readily than the composites with tantalum. The Si 3 N 4 -Ta laminates demonstrated crack deflection and bridging behavior during failure and flexural strength of 800–900 MPa. The hardness and elastic modulus of Si 3 N 4 -Ta laminates measured by nanoindentation were similar to those reported in literature. The hardness across the interface of the Si 3 N 4 -Ta composite varied according to the composition of the interface, which displayed a profile indicative of a diffusion bond.

36 MATERIALS SCIENCE↗
DOE OSTI2019

The Effect of Zinc on the Structural, Electrical, and Mechanical Properties of YBCO-123 Superconducting Nanoparticles Prepared by an Acetate-Based Sol-Gel Process

In this study, zinc (Zn)-doped YBaCuO (YBCO)-123-based high-temperature superconducting samples were produced using the sol-gel method, which is commonly used for preparing nanosize materials. Zn ions were substituted by Cu ions (YBa{sub 2}Cu{sub 3-x}Zn{sub x}O), and Zn doping effects on structural, electrical, and mechanical properties of the YBCO-123 superconductors were examined in detail. Undoped sample was prepared under same conditions. X-ray diffraction analysis (XRD) was used to determine phase analysis and lattice parameters of the superconducting samples. To analyze the microstructure properties, scanning electron microscope (SEM) measurements were performed. Resistivity and microhardness measurements were also carried out for superconducting and mechanic properties, respectively. Vickers microhardness, young modulus, fracture toughness, and yield strength values of the samples were calculated. Microhardness measurements were analyzed using the Kick’s law, proportional sample resistance (PSR) model, EPD model, the Hays-Kendall (HK) approach, and indentation-induced cracking (IIC) model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Ultrahigh elastically compressible and strain-engineerable intermetallic compounds under uniaxial mechanical loading

Intermetallic compounds possess unique atomic arrangements that often lead to exceptional material properties, but their extreme brittleness usually causes fracture at a limited strain of less than 1% and prevents their practical use. Thus, it is critical for them to exhibit either plasticity or some form of structural transition to absorb and release a sufficient amount of mechanical energy before failure occurs. This study observes that the ThCr 2 Si 2 -structured intermetallic compound (CaFe 2 As 2 ) and a hybrid of its structure (CaKFe 4 As 4 ) with 2 μm in diameter and 6 μm in height can exhibit superelasticity with strain up to 17% through a reversible, deformation-induced lattice collapse, leading to a modulus of resilience orders of magnitude higher than that of most engineering materials. Such superelasticity also can enable strain engineering, which refers to the modification of material properties through elastic strain. Density functional theory calculations and cryogenic nanomechanical tests predict that superconductivity in CaKFe 4 As 4 could be turned on/off through the superelasticity process, before fracture occurs, even under uniaxial compression, which is the favorable switching loading mode in most engineering applications. Our results suggest that other members with the same crystal structure (more than 2500 intermetallic compounds) and substitution series based on them should be examined for the possibility of manifesting similar superelastic and strain-engineerable functional properties.

36 MATERIALS SCIENCE↗
DOE OSTI2023

WhatsCracking [SWR-23-03]

WhatsCracking can accurately predict cell fracture in crystalline silicon PV modules. The probability of PV module cell fracture is determined by a complicated interrelationship of module architecture, materials, and loading. WhatsCracking is a Finite Element Method tool which enables users to assess how module design impacts the propensity for cell fracture.

Deceglie, Michael↗
DOE OSTI2023

Near-Surface Layer Perforations as Precursors to Fracture in Accumulative Roll Bonding of a Multilayered Metal Composite

We use micro-computed tomography (µ-CT) to characterize the sizes, shapes, and locations of layer perforation (LP) defects in laminates of copper (Cu) and tantalum (Ta) processed by accumulative roll bonding (ARB). One—termed Cu/Ta—was processed from an initial stacking of seven alternating Cu and Ta sheets, with the exterior sheets being Cu. In the other—termed Ta/Cu—the exterior sheets are Ta. Cu/Ta remained intact during processing and exhibits an approximately uniform spatial distribution of LPs. By contrast, Ta/Cu fractured by longitudinal splitting. LPs in this latter sample are concentrated near the sample surfaces. Moreover, their density increases with decreasing distance to the fracture surface. Furthermore, these findings show that materials undergoing ARB may remain intact, despite profuse formation of LPs, provided that the LPs are uniformly distributed. However, a non-uniform distribution of LPs is correlated with longitudinal splitting.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The Effects of Plasma Pre-Cracking on Drilling of Hard Rocks: A Single Insert Cutting Experiment

Abstract This paper studies the effects of plasma-induced cracks on rock cutting to support the concept of a plasma-integrated drag bit for accelerated geothermal drilling through hard rocks. For this, a single polycrystalline diamond compact (PDC) drilling technique is used in cutting granite to compare thrust and cutting forces between plasma-treated and untreated rock samples. The cracks are produced using underwater plasma at 80 J per pulse. This energy level does not produce visible damage to the rock. The cutting tests are conducted at a cutting speed of 12.7 m/min and four feed rates of 0.127, 0.201, 0.267, and 0.414 mm/s to represent actual drilling scenarios. The results show a general trend of reduction in both thrust and cutting forces for these feed rates, but the magnitude of reduction highly depends on the feed rate. The maximum force reduction of around 50% is found at the 0.267 mm/s feed rate with statistical significance. Cases with a higher force reduction are also found to have rougher surface topography, which indicates more excessive fracturing and, thus, a cracks-accelerated material removal process. This study provides initial evidence of using underwater plasma to increase the downhole drilling rate of hard rocks.

Engineering↗