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At least 703 records · Page 39

Crack nucleation at forging flaws studied by non-local peridynamics simulations

We present a computational study and framework that allows us to study and understand the crack nucleation process from forging flaws. Forging flaws may be present in large steel rotor components commonly used for rotating power generation equipment including gas turbines, electrical generators, and steam turbines. The service life of these components is often limited by crack nucleation and subsequent growth from such forging flaws, which frequently exhibit themselves as non-metallic oxide inclusions. The fatigue crack growth process can be described by established engineering fracture mechanics methods. However, the initial crack nucleation process from a forging flaw is challenging for traditional engineering methods to quantify as it depends on the details of the flaw, including flaw morphology. We adopt the peridynamics method to describe and study this crack nucleation process. For a specific industrial gas turbine rotor steel, we present how we integrate and fit commonly known base material property data such as elastic properties, yield strength, and S-N curves, as well as fatigue crack growth data into a peridynamic model. The obtained model is then utilized in a series of high-performance two-dimensional peridynamic simulations to study the crack nucleation process from forging flaws for ambient and elevated temperatures in a rectangular simulation cell specimen. The simulations reveal an initial local nucleation at multiple small oxide inclusions followed by micro-crack propagation, arrest, coalescence, and eventual emergence of a dominant micro-crack that governs the crack nucleation process. The dependence on temperature and density of oxide inclusions of both the details of the microscopic processes and cycles to crack nucleation is also observed. The results are compared with fatigue experiments performed with specimens containing forging flaws of the same rotor steel.

97 MATHEMATICS AND COMPUTING↗

Dynamic Behavior of Pt Multimetallic Alloys for Active and Stable Propane Dehydrogenation Catalysts

Improving the use of platinum in propane dehydrogenation catalysts is a crucial aspect to increasing the efficiency and sustainability of propylene production. A known and practiced strategy involves incorporating more abundant metals in supported platinum catalysts, increasing its activity and stability while decreasing the overall loading. Here, using colloidal techniques to control the size and composition of the active phase, we show that Pt/Cu alloy nanoparticles supported on alumina (Pt/Cu/Al 2 O 3 ) displayed elevated rates for propane dehydrogenation at low temperature compared to a monometallic Pt/Al 2 O 3 catalyst. We demonstrate that the enhanced catalytic activity is correlated with a higher surface Cu content and formation of a Pt-rich core and Cu-rich shell that isolates Pt sites and increases their intrinsic activity. However, rates declined on stream because of dynamic metal diffusion processes that led to a more uniform alloy structure. This transformation was only partially inhibited by adding excess hydrogen to the feed stream. Instead, cobalt was introduced to provide trimetallic Pt/Cu/Co catalysts with stabilized surface structure and stable activity and higher rates than the original Pt/Cu system. In conclusion, the structure–activity relationship insights in this work offer improved knowledge of propane dehydrogenation catalyst development featuring reduced Pt loadings and notable thermal stability for propylene production.

Alloys↗

Regolith Adaptive Modification Systems (Rams) - Final Report

Establishing human habitation on the Moon or Mars requires a palette of reaction chemistries for deconstructing extraterrestrial soils to extract structural metals, fuels, and propellants, as well as consolidating the soils into load-bearing forms. This report outlines progress related to the fundamental chemistry of in-situ resource utilization that is the focus of our Regolith Adaptive Modification System (RAMS) NIAC project. The RAMS concept is a breakthrough approach for preparing surfaces for early landing sites–and subsequent settlement operations–on the Lunar and Martian surface, among others. The RAMS concept is aligned with aspirations and capabilities of planned NASA Artemis mission. The approach is predicated on the sequential delivery of microcapsules onto lunar and Martian surfaces, which upon rupture, release payloads that react with regolith to yield geopolymerized subsurface slabs and surface high-strength steel skin and anchors . Through successively more exothermic reactions, we are seeking to build subsurface geopolymer slabs and use thermite reactions to constitute micro-alloyed advanced high-strength steel (AHSS) and Ti—Al—V pads on surfaces of planetary bodies, thereby circumventing the need for energy-intensive sintering technologies. As a precursor delivery system used to constitute landingpads, RAMS can be scaled for robotic, human-class, and more prominent (i.e., Starship) landers and will be configured within pressurized delivery systems that use radio beacons to outline coordinates for precision landings. Microcapsule delivery systems are designed to impel precursors (nanothermite mixtures and organosilanes), which activate in response to stress, heat, or impact to constitute deep geopolymerized slabs and AHSS skins. Dust mitigation is accomplished by reaction/solidification chemistry that yields a subsurface slab and advanced high-strength steel skin and anchors.

2021 NIAC Phase I↗

Tuning acidity in silica-overcoated oxides for hydroalkoxylation

Mixed oxides are ubiquitious solid acid catalysts for a number of transformations. Here, the chemistry of mixed oxide interfaces was experimentally probed by constructing model SiO 2 on MO x interfaces using a liquid-phase, stoichiometrically-controlled deposition of tetraethyl orthosilicate (TEOS). Catalytically active Brønsted sites were generated in four series of overcoated SiO 2 on metal oxide materials prepared by depositing TEOS onto Al 2 O 3 , anatase TiO 2 , Nb 2 O 5 , and ZrO 2 . Pyridine DRIFTS studies indicate that the acidity of deposited silanol groups was enhanced by interaction with the metal oxide surface, suggesting that pseudo-bridging silanol type structures were formed. Trimethylphosphine oxide (TMPO) 31 P NMR experiments showed that Brønsted acid strength varied in the overcoated materials, with increasing strength in the following order: SiO 2 /ZrO 2 < SiO 2 /TiO 2 < SiO 2 /Nb 2 O 5 < SiO 2 /Al 2 O 3 . This order correlated with the Lewis acidity and chemical hardness of the underlying metal oxides. The catalytic performance of the materials was evaluated in the liquid-phase hydroalkoxylation of dihydropyran with n-octanol, revealing that activity was highly dependent on SiO 2 loading, which impacted the density of acid sites, and scaled exponentially with Brønsted acid strength, determined by the core metal oxide identity. Brønsted acid strength appears to be the key driver of the materials’ activity, with the highest areal rate of 2.2 mmol / m 2 – h being measured over SiO 2 /Al 2 O 3 . Furthermore, this study shows that SiO 2 -overcoated materials are a systematically tunable class of catalysts that can be applied to acid catalyzed reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Li 3– x Zr x (Ho/Lu) 1– x Cl 6 Solid Electrolytes Enable Ultrahigh-Loading Solid-State Batteries with a Prelithiated Si Anode

We report two new families of lithium metal chloride solid electrolytes Li 3–x Zr x (M) 1–x Cl 6 (0 ≤ x ≤ 0.8; M = Ho or Lu) with ionic conductivities of up to 1.8 mS cm –1 and a low activation energy of 0.34 eV. Structural elucidation via high-resolution neutron diffraction determines the Li ion distribution in trigonal Li 3 HoCl 6 , orthorhombic-I Li 3 LuCl 6 , and orthorhombic-II Li 2.4 Zr 0.6 (Ho/Lu) 0.4 Cl 6 . The last compound exhibits well-connected Li-ion pathways and abundant Li-ion carriers/vacancies to promote diffusion. All-solid-state batteries with Li 2.6 Zr 0.4 (Ho/Lu) 0.6 Cl 6 solid electrolytes and NCM85 cathodes exhibit stable cycling up to 4.6 V vs Li + /Li, which is even preserved up to 4.8 V. Stable cathode interphases are formed for both electrolytes upon cycling to 4.3, 4.6, and 4.8 V cutoff potentials, as identified by a ToF-SIMS analysis. Solid-state cells with a prelithiated Li 0.7 Si anode exhibit a significantly increased initial coulombic efficiency of 94.5% compared to Si and a high areal capacity of up to 16.3 mAh·cm –2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Methodologies for Combined Loads Tests Using a Multi-Actuator Test Machine

The NASA Langley COmbined Loads Test System (COLTS) Facility was designed to accommodate a range of fuselage structures and wing sections and subject them to both quasistatic and cyclic loading conditions. Structural tests have been conducted in COLTS that address structural integrity issues of metallic and fiber reinforced composite aerospace structures in support of NASA Programs (i.e. the Aircraft Structural Integrity (ASIP) Program, High-Speed-Research program and the Supersonic Project, NASA Engineering and Safety Center (NESC) Composite Crew Module Project, and the Environmentally Responsible Aviation Program),. This paper presents experimental results for curved panels subjected to mechanical and internal pressure loads using a D-box test fixture. Also, results are presented that describe use of a checkout beam for development of testing procedures for a combined mechanical and pressure loading test of a Multi-bay box. The Multi-bay box test will be used to experimentally verify the structural performance of the Multi-bay box in support of the Environmentally Responsible Aviation Project at NASA Langley.

Rouse, Marshall↗

Effect of humidity on fretting wear of several pure metals

Fretting wear experiments with several pure metals were conducted in air at various relative humidity levels. The materials used were iron, aluminum, copper, silver, chromium, titanium, and nickel. Each pure metal had a maximum fretting wear volume at a specific humidity level RH sub max that was not dependent on mechanical factors such as contact load, fretting amplitude, and frequency in the ranges studied. The weight loss due to fretting wear at RH sub max for each pure metal decreased with increasing heat of oxygen adsorption on the metal, indicating that adhesive wear dominated at RH sub max.

Goto, H.↗

Porosity evolution under increasing tension in wire-arc additively manufactured aluminum using in-situ micro-computed tomography and convolutional neural network

Internal defects such as porosities are often formed in additively manufactured metal components. The pores nucleate, grow, and coalesce to form cracks under loads, leading to eventual catastrophic failure. Here, in this paper, the full-field porosity evolution, including pore growth and coalescence in a wire-arc additively manufactured (WAAM) aluminum alloy cylinder under tension is observed with in-situ X-ray micro-computed tomography (μCT). The pore size distribution, density, and tensile stress are calculated from the volumetric images analyzed by a convolutional neural network (CNN) algorithm, which provides rapid analysis of 12,950 slice images from μCT volumetric images at the reference state and 13 tensile strains. The results show the quantitative evolution of the growth and coalescence of macropores under tension. A strong correlation is found between the local pore volume fraction and the true tensile stress when the tensile strain is larger than 5%.

36 MATERIALS SCIENCE↗

Mitigating Hydrogen-Induced Degradation of Iridium Anodes in Proton Exchange Membrane Water Electrolyzers

One promising method for reducing precious metal usage in proton exchange membrane water electrolysis is lowering iridium (Ir) loading at the anode. However, low-loading Ir catalysts often suffer from poor stability under high current densities. In this study, hydrogen (H2) crossover from the cathode to the anode is identified as a key degradation pathway. Temperature-programmed reduction confirms the reduction of IrO2 at 80 °C in a hydrogen environment, highlighting the vulnerability of IrO2-based catalysts to H2 exposure. To mitigate this effect, palladium (Pd) is introduced as an anode additive, acting as an H2 oxidation catalyst and mitigating IrO2 reduction. This protective role is verified by inductively coupled plasma optical emission spectroscopy and in situ X-ray absorption spectroscopy, showing significantly suppressed Ir dissolution at 80 °C under H2 flow when an O-covered Pd surface is present at oxygen evolution reaction potentials. Results from the current study identify a new strategy in improving activity and durability of catalysts in electrolyzers.

58 GEOSCIENCES↗

The Coordination Chemistry and Stoichiometry of Extracted Diglycolamide Complexes of Lanthanides in Extraction Chromatography Materials

Industrial rare earth element (REE) separations predominantly utilize solvent extraction processes tailored toward conventional resources such as bastnäsite, monazite, and ion adsorption clays. Advances in diglycolamide (DGA) chemistry have shown effective extraction characteristics for REE separations. However, limitations associated with traditional DGA solvent extraction techniques, such as third-phase formation and gelling, have hindered commercial viability. By supporting DGA extractants on porous resins such as polystyrene divinyl benzene (PS-DVB), the desirable combination of solvent extraction selectivity and ease of operation of sorbent columns can be achieved. To design a low-cost model for such solid-supported DGAs, extraction characteristics as influenced by the underlying coordination chemistry must be explored to achieve efficient functional systems. Within this study, we report novel DGA resin materials, each incorporating one of the DGAs N,N,N’,N’-tetra-(1-octyl)-3-oxapentane-1,5-diamide (TODGA), N,N'-dimethyl-N,N'-dioctyl-3-oxapentane-1,5-diamide (DMDODGA), and 2,2'-oxybis(1-(3-(((2-ethylhexyl)thio)methyl)-4-methylpyrrolidin-1-yl)ethan-1-one) (DEHPDGA). The affinity of DGAs across the lanthanide (Ln) series was evaluated for both hydrochloric acid and nitric acid media with varying Ln feed concentrations to study distribution ratios and loading characteristics. Focusing on dysprosium, extended X-Ray Absorption Fine Structure (EXAFS) and density functional theory (DFT) calculations were also utilized to explore coordination chemistry and their effects on ligand performance. The general trend for both acid media resulted in DMDODGA having the highest extraction strength of all three DGAs at varying acid concentrations. Coordination-chemistry analysis supported by loading data, DFT calculations, and EXAFS results under forced loading conditions posited less than the expected 3:1 ligand-to-metal coordination.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamic x-ray diffraction and nanosecond quantification of kinetics of formation of β -zirconium under shock compression

We report the atomic- and nanosecond-scale quantification of kinetics of a shock-driven phase transition in Zr metal. We uniquely make use of a multiple shock-and-release loading pathway to shock Zr into the β phase and to create a quasisteady pressure and temperature state shortly after. Coupling shock loading with in situ time-resolved synchrotron x-ray diffraction, we probe the structural transformation of Zr in the steady state. Our results provide a quantified expression of kinetics of formation of β-Zr phase under shock loading: transition incubation time, completion time, and crystallization rate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Evaluation of a metal fuselage frame selectively reinforced with filamentary composites for space shuttle application

The development of metal structures reinforced with filamentary composites as a weight saving feature of the space shuttle components is discussed. A frame was selected for study that was representative of the type of construction used in the bulk frames of the orbiter vehicle. Theoretical and experimental investigations were conducted. Component tests were performed to evaluate the critical details used in the designs and to provide credibility to the weight saving results. A model frame was constructed of the reinforced metal material to provide a final evaluation of the construction under realistic load conditions.

Oken, S.↗

A proposed standard round compact specimen for plane strain fracture toughness testing

A round, disk-shaped specimen is proposed as a standard test specimen for addition to ASTM Test for Plane-Strain Fracture Toughness of Metallic Materials (E 399-78A). The specimen is diametrically cracked, and loaded in the same way as the existing standard compact specimen. Tests and analyses were performed to verify that the proposed round compact specimen and associated stress intensity factor K solution are appropriate for a standard plane strain fracture toughness test. The use of the round compact specimen for other fracture tests is described.

Underwood, J. H.↗

Friction and hardness of gold films deposited by ion plating and evaporation

Sliding friction experiments were conducted with ion-plated and vapor-deposited gold films on various substrates in contact with a 0.025-mm-radius spherical silicon carbide rider in mineral oil. Hardness measurements were also made to examine the hardness depth profile of the coated gold on the substrate. The results indicate that the hardness is influenced by the depth of the gold coating from the surface. The hardness increases with an increase in the depth. The hardness is also related to the composition gradient in the graded interface between the gold coating and the substrate. The graded interface exhibited the highest hardness resulting from an alloy hardening effect. The coefficient of friction is inversely related to the hardness, namely, the load carrying capacity of the surface. The greater the hardness that the metal surface possesses, the lower is the coefficient of friction. The graded interface exhibited the lowest coefficient of friction.

Miyoshi, K.↗

Elastic-plastic stress concentrations around crack-like notches in continuous fiber reinforced metal matrix composites

Continuous fiber silicon-carbide/aluminum composite laminates with slits were tested statically to failure. Five different layups were examined: (0) sub 8, (0 sub 2/ + or - 45) sub s, (0/90) sub 2s), (0/ + or - 45/90 sub s), and (+ or - 45) sub 2s. Either a 9.5 or a 19 mm slit was machined in the center of each specimen. The strain distribution ahead of the slit tip was found experimentally with a series of strain gages bonded ahead of the slit tip. A three-dimensional finite element program (PAFAC) was used to predict the strain distribution ahead of the slit tip for several layups. For all layups, except the (0) sub 8, the yielding of the metal matrix caused the fiber stress concentration factor to increase with increasing load. This is contrary to the behavior seen in homogeneous materials where yielding causes the stress concentration to drop. For the (0) sub 8 laminate, yielding of the matrix caused a decrease in the fiber stress concentration. The finite element analysis predicted these trends correctly.

Johnson, W. S.↗

Nonisothermal elasto-visco-plastic response of shell-type structures

A mathematical model and solution methodologies for analyzing structural response of thin, metallic shell-type structures under large transient, cyclic or static thermomechanical loads is disussed. Among the system responses, which are associated with these load conditions, are thermal buckling and creep buckling. Thus, geometric as well as material-type nonlinearities (of high order) can be anticipated and have been considered in the development of the mathematical model. Furthermore, this was accommodated in the solution procedures. A complete true ab-inito rate theory of kinematics and kinetics for continuum and curved thin structures, without any restriction on the magnitude of the strains or the deformation, was formulated. The time dependence and large strain behavior are incorporated through the introduction of the time rates of the metric and curvature in two coordinate systems, a fixed (spatial) one and a convected (material) coordinate system. The relations between the time derivative and the covariant derivatives (gradients) have been developed for curved space and motion, so that the velocity components supply the connection between the equations of motion and the time rate of change of the metric and curvature tensors.

Simitses, G. J.↗