Taylor-Quinney coefficient determination from simultaneous strain and temperature measurements of uniform and localized deformation in tensile tests
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Smith, Jarrod L. (ORCID:0000000186403748)↗
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Results for “tensile strain”
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Quantitative nanoscale tracking of oxygen vacancy diffusion inside single ceria grains by in situ transmission electron microscopy
Oxygen vacancy formation and migration in ceria is critical to its electrochemical and catalytic properties in systems for chemical and energy transformation, but its quantification is rather challenging especially at atomic-scale because of disordered distribution. Here we report a rational approach to track oxygen vacancy diffusion in single grains of pure and Sm-doped ceria at -20 °C to 160 °C using in situ (scanning) transmission electron microscopy ((S)TEM). To create a gradient in oxygen vacancy concentration, a small region (~30 nm in diameter) inside a ceria grain is reduced to the C-type CeO 1.68 phase by the ionization or radiolysis effect of a high-energy electron beam. The evolution in oxygen vacancy concentration is then mapped through lattice expansion measurement using scanning nano-beam diffraction or 4D STEM at a spatial resolution better than 2 nm; this allows direct determination of local oxygen vacancy diffusion coefficients in a very small domain inside pure and Sm-doped ceria at different temperatures. Further, the activation energies for oxygen transport are determined to be 0.59, 0.66, 1.12, and 1.27 eV for pure CeO 2 , Ce 0.94 Sm 0.06 O 1.97 , Ce 0.89 Sm 0.11 O 1.945 , and Ce 0.8 Sm 0.2 O 1.9 , respectively, implying that activation energy increases due to impurity scattering. The results are qualitatively supported by density functional theory (DFT) calculations. In addition, our in situ TEM investigation reveals that dislocations impede oxygen vacancy diffusion by absorbing oxygen vacancies from the surrounding areas and pinning them locally. With more oxygen vacancies absorbed, dislocations show extended strain fields with local tensile zone sandwiched between the compressed ones. Therefore, dislocation density should be reduced in order to minimize the resistance to oxygen vacancy diffusion at low temperatures.
36 MATERIALS SCIENCE↗
Repurposing the θ (Al 2 Cu) phase to simultaneously increase the strength and ductility of an additively manufactured Al–Cu alloy
The Al–Cu–Mn–Zr (ACMZ) cast family of alloys offers unique properties and value propositions for higher strength, higher temperature lightweight components of future vehicles. Earlier research has demonstrated trade-offs in the selection of the alloy chemistry in which an increase in Cu content from 6 up to 9 wt% improves hot tear resistance but lowers ductility. However, a recent study has demonstrated that higher-Cu (9Cu) ACMZ fabricated with laser powder bed fusion additive manufacturing (AM) results in an increase in both ductility and strength when compared to as-aged microstructure of cast 9Cu alloys. The mechanisms of differing mechanical performance of the cast and AM ACMZ alloys are elucidated in the current paper through the utilization of in situ high energy x-ray diffraction (HEXRD) tensile testing wherein lattice strains of different phases are calculated and correlated to their stresses. The ACMZ alloys consisted of theta (θ) and theta prime (θ') phases (both Al 2 Cu in nominal composition) within an aluminum matrix. The larger micron-size θ phase which decorated the grain boundaries in 9Cu ACMZ cast alloys recorded small lattice strains, while the submicron, homogeneously distributed θ phase in the 9Cu ACMZ AM alloy recorded considerably higher lattice strains. The maximum stress reached in the θ phase for the cast 9Cu alloy was found to be ~280 MPa, which was lower than the AM 9Cu alloy which registered a maximum stress of ~1.4 GPa. These measurements indicate that delayed fracture of the finer intermetallic phases simultaneously improves the ductility and strength of AM 9Cu alloy relative to the cast 9Cu alloy, which exhibits early fracture of the larger intermetallic particles.
36 MATERIALS SCIENCE↗
Inverse design of two-dimensional materials with invertible neural networks
The ability to readily design novel materials with chosen functional properties on-demand represents a next frontier in materials discovery. However, thoroughly and efficiently sampling the entire design space in a computationally tractable manner remains a highly challenging task. To tackle this problem, we propose an inverse design framework (MatDesINNe) utilizing invertible neural networks which can map both forward and reverse processes between the design space and target property. This approach can be used to generate materials candidates for a designated property, thereby satisfying the highly sought-after goal of inverse design. We then apply this framework to the task of band gap engineering in two-dimensional materials, starting with MoS 2 . Within the design space encompassing six degrees of freedom in applied tensile, compressive and shear strain plus an external electric field, we show the framework can generate novel, high fidelity, and diverse candidates with near-chemical accuracy. We extend this generative capability further to provide insights regarding metal-insulator transition in MoS 2 which are important for memristive neuromorphic applications, among others. This approach is general and can be directly extended to other materials and their corresponding design spaces and target properties.
36 MATERIALS SCIENCE↗
Role of tilt grain boundaries on the structural integrity of WSe 2 monolayers
Transition metal dichalcogenides (TMDCs) are potential materials for future optoelectronic devices. Grain boundaries (GBs) can significantly influence the optoelectronic properties of TMDC materials. Here, we have investigated the mechanical characteristics of tungsten diselenide (WSe 2 ) monolayers and failure process with symmetric tilt GBs using ReaxFF molecular dynamics simulations. In particular, the effects of topological defects, loading rates, and temperatures are investigated. We considered nine different grain boundary structures of monolayer WSe 2 , of which six are armchair (AC) tilt structures, and the remaining three are zigzag (ZZ) tilt structures. Our results indicate that both tensile strength and fracture strain of WSe 2 with symmetric tilt GBs decrease as the temperature increases. We revealed an interfacial phase transition for high-angle GBs reduces the elastic strain energy within the interface at finite temperatures. Furthermore, brittle cracking is the dominant failure mode in the WSe 2 monolayer with tilted GBs. WSe 2 GB structures showed more strain rate sensitivity at high temperatures than at low temperatures.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Integrated modeling of cracking during deep penetration laser welding of nickel alloys
During deep penetration laser welding of nickel alloys, interactions between composition and processing conditions can lead to the formation of defects. Inconel 740H, for example, has demonstrated a susceptibility to horizontal fusion zone cracking at locations between 70% and 80% of the weld depth during laser welding at powers above 5 kW. Coupling three-dimensional heat transfer, fluid flow, and stress modeling tools allowed that both the strain rate and stress normal to the solidification direction to be calculated. In the Inconel 740H welds, cracks formed at locations where the strain rate and stress simultaneously reached critical levels. No cracking was observed in the Inconel 690 welds, since the strain rate and stress did not simultaneously reach these critical levels.
36 MATERIALS SCIENCE↗
Local strain-dependent electronic structure and perpendicular magnetic anisotropy of a MnGaN 2D magnetic monolayer
Local strain-dependent spin-polarized electronic structure of a two-dimensional (2D) magnetic layer is an exciting property for practical applications. For example, it holds the promise for advanced ultrathin spintronic nanodevices with customized electronic and magnetic properties by local strain engineering. Here, we demonstrate that the spin-polarized electronic structure of a 2D manganese gallium nitride (MnGaN-2D) magnetic monolayer is sensitive to intrinsic local lattice strain, as proven by first-principles calculations and indicated by scanning tunneling spectroscopy measurements. Atomic resolution images reveal a highly non-Gaussian lattice spacing/strain distribution, while the spectroscopy reveals variations in the electronic density of states. Simulations of the MnGaN-2D monolayer based on first-principles calculations, including both isotropic and anisotropic strains, confirm a highly strain-dependent manganese partial density of states. Spin-orbit coupling is included which indicates either out-of-plane perpendicular magnetic anisotropy (PMA) or in-plane magnetic anisotropy, dependent on the type of strain whether compressive or tensile, suggesting that MnGaN-2D is magnetoelastic. The MnGaN-2D PMA is further supported by superconducting quantum interference device magnetometry measurements which reveal a high spin polarization of ~ 79 % at room temperature.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
2021 Report - SRNL Aging and Lifetimes program tritium aging studies on structural alloys
This report documents work performed in fiscal year 2021 at SRNL in support of the Aging and Lifetimes program. This work is part of an on-going collaboration between SRNL and SNL to understand tritium embrittlement of structural metals used in Gas Transfer System reservoirs, thereby informing lifetime assessments and predictions. In this effort, test coupons are pre-charged with tritium and allowed to age in a freezer to minimize tritium diffusion and off-gassing while allowing for born-in helium levels to systematically increase. Coupons are then removed periodically and tested to develop an understanding of how mechanical properties degrade as helium levels increase. This report summarizes test results from coupons which are in various stages of aging as they were tritium pre-charged in previous years. Tests were performed on 304L that was previously tritium pre-charged and allowed to age to nominally 300 appm helium. Specimens from this study were previously tested at 100 appm nominal helium content, and this new test point expands that study. Tensile testing of these heat treated 304L tubes (and welded tubes) aged to 100 appm helium were completed which provided a unique study of a diverse set of microstructures and yield strengths ranging from 200-800 MPa. Additionally, 304L notched and smooth tensile specimens aged to 300 appm helium were tensile tested to predetermined strains to provide for a systematic microscopy investigation of aging effects on microstructural damage in partnership with SNL. Testing was performed on 304L electron beam (EB) weld coupons as well as 21-6-9 annealed coupons that were thermally pre-charged in 2020. Tests on the EB welds were completed at 100 appm helium contents, and tests on the annealed 21-6-9 material were completed at 100, 200, and 300 appm helium. Table 0-1 provides the status of the ongoing tritium coupon aging studies. The table includes the year tritium pre-charging took place, the material, and the targeted helium concentrations (appm) for testing.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Influence of Heterointerfaces on the Kinetics of Oxygen Surface Exchange on Epitaxial La 1.85 Sr 0.15 CuO 4 Thin Films
Considerable attention has been directed to understanding the influence of heterointerfaces between Ruddlesden–Popper (RP) phases and ABO 3 perovskites on the kinetics of oxygen electrocatalysis at elevated temperatures. Here, we report the effect of heterointerfaces on the oxygen surface exchange kinetics by employing heteroepitaxial oxide thin films formed by decorating LaNiO 3 (LNO) on La 1.85 Sr 0.15 CuO 4 (LSCO) thin films. Regardless of LNO decoration, tensile in-plane strain on LSCO films does not change. The oxygen surface exchange coefficients (kchem) of LSCO films extracted from electrical conductivity relaxation curves significantly increase with partial decorations of LNO, whereas full LNO coverage leads to the reduction in the kchem of LSCO films. The activation energy for oxygen exchange in LSCO films significantly decreases with partial LNO decorations in contrast with the full coverage of LNO. Optical spectroscopy reveals the increased oxygen vacancies in the partially covered LSCO films relative to the undecorated LSCO film. We attribute the enhanced oxygen surface exchange kinetics of LSCO to the increased oxygen vacancies by creating the heterointerface between LSCO and LNO.
25 ENERGY STORAGE↗
Time-temperature-strain rate equivalence for various engineering thermoplastics.
Stress relaxation, stress-strain curve and time- temperature-strain rate equivalence for thermoplastic and viscoelastic polymers
STRAIN RATE↗
Experimental stress analysis of large plastic deformations in a hollow sphere deformed by impact against a concrete block
An experimental plastic strain measurement system is presented for use on the surface of high velocity impact test models. The system was used on a hollow sphere tested in impact against a reinforced concrete block. True strains, deviatoric stresses, and true stresses were calculated from experimental measurements. The maximum strain measured in the model was small compared to the true failure strain obtained from static tensile tests of model material. This fact suggests that a much greater impact velocity would be required to cause failure of the model shell structure.
Morris, R. E.↗
Processing of Rigidized Rei-mullite Insulative Composites
Systematic development and evaluation of ceramic fiber Mullite are summarized: (1) Major reductions in thermal protection system weight have been achieved by reducing the density and thermal conductivity of the insulation by 20 and 25 percent; (2) already adequate structural margins-of-safety have been greatly enhanced by increasing the tensile strength and strain-to-failure capabilities of the insulation by factors of 3 and 2; (3) cost effectiveness has been increased through the achievement of a high degree of uniformity and reproducibility of properties and through process simplification and binder modifications; and (4) maximization of multimission capability at surface temperatures of 1644 K has been achieved through firing cycle adjustments and the development of a material with high dimensional stability.
Gebhardt, J. J.↗
Influence of heat treatment on mechanical properties of 300M Steel
The plane strain fracture toughness and tensile strength response of 300M Steel to a wide variety of austenitizing and tempering temperatures were investigated. The results make it possible for one to select heat treatments which provide an optimum combination of strength and toughness for a variety of structural applications. In particular, improvements in toughness on the order of 20% were found possible with no loss in tensile properties by increasing the austenitizing temperature from the currently employed 1144 K to 1255 K or higher, and this change in heat treatment therefore appears worthy of general implementation.
Youngblood, J. L.↗
Ultra-high-strength boron fibers
Boron-on-tungsten fibers with tensile strength and strain-to-failure values increased by fifty percent over commercial grades are produced by controlled chemical-etching process. Improved fibers have potential applications as lightweight composites in ground vehicles, spacecraft, and rotors for energy storage.
Behrendt, D. R.↗
Electromagnetic bonding of plastics to aluminum
Electromagnetic curing is used to bond strain gage to aluminum tensile bar. Electromagnetic energy heats only plastic/metal interface by means of skin effect, preventing degradation of heat-treated aluminum. Process can be easily applied to other metals joined by high-temperature-curing plastic adhesives.
Sheppard, A. T.↗
Development of a simplified procedure for thrust chamber life prediction
An analytical design procedure for predicting thrust chamber life considering cyclically induced thinning and bulging of the hot gas wall is developed. The hot gas wall, composed of ligaments connecting adjacent cooling channel ribs and separating the coolant flow from the combustion gas, is subjected to pressure loading and severe thermal cycling. Thermal transients during start up and shut down cause plastic straining through the ligaments. The primary bending stress superimposed on the alternate in-plane cyclic straining causes incremental bulging of the ligaments during each firing cycle. This basic mechanism of plastic ratcheting is analyzed and a method developed for determining ligament deformation and strain. The method uses a yield surface for combined bending and membrane loading to determine the incremental permanent deflection and pregressive thinning near the center of the ligaments which cause the geometry of the ligaments to change as the incremental strains accumulate. Fatigue and tensile instability are affected by these local geometry changes. Both are analyzed and a failure criterion developed.
Porowski, J. S.↗
Synthesis and characterization of bisimide amines and bisimide amine-cured epoxy resins
A study has been conducted with the objective of developing tough, moisture resistant, high char yield epoxy resins using novel bisimide amine (BIA) hardeners as curing agents with MY-720, a commercial state-of-the-art epoxy resin system. BIA cured epoxies are shown to have lower moisture absorption than MY-720 and other state-of-the-art epoxy resins; the tensile strengths and strain-to-failures of several of the bisimide epoxy resins (IME's) are higher than those of the state-of-the-art epoxies. Most IME's have compression properties equivalent to those of state-of-the-art epoxies. Two resin systems, IME-10 and IME-12-3, have better overall properties than other resin systems investigated.
Scola, D. A.↗
The effect of hydrogen on the deformation and fracture of PWA 1480
The effect of internal hydrogen on mechanical properties and fracture behavior is studied in the single-crystal nickel-base superalloy PWA 1480. In particular, plane strain fracture toughness and tensile tests have been performed in hydrogen-free samples and hydrogen-gas phase-charged samples in two different sample orientations. The mechanical properties, as well as the fracture process, were found to be very dependent on orientation. Hydrogen did not affect the yield strength but reduced the uniform tensile elongation more than 75 percent. However, hydrogen reduced the tensile reduction-in-area and the fracture toughness by only 10 percent. Cleavage of the eutectic gamma-prime, as well as the role of hydrogen trapping, will be discussed. These results will be analyzed in terms of the effects that orientation, microstructure, and hydrogen have on the fracture process.
Walston, W. S.↗