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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Dynamics of organic matter molecular composition under aerobic decomposition and their response to the nitrogen addition in grassland soils

Grassland soils store a substantial proportion of the global soil carbon (C) stock. The transformation of C in grassland soils with respect to chemical composition and persistence strongly regulate the predicted terrestrial-atmosphere C flux in global C biogeochemical cycling models. In addition, increasing atmospheric nitrogen (N) deposition alters C chemistry in grassland soils. However, there remains controversy about the importance of mineralogical versus biochemical preservation of soil C, as well as uncertainty regarding how grassland soil C chemistry responds to elevated N. This study used grassland soils with diverse soil organic matter (SOM) chemistries in an 8-month aerobic incubation experiment to evaluate whether the chemical composition of SOM converged across sites over time, and how SOM persistence responded to the N addition. This study demonstrates that over the course of incubation, the richness of labile compounds decreased in soils with less ferrihydrite content, whereas labile compounds were more persistent in ferrihydrite rich soils. In contrast, we found that the richness of more complex compounds increased over the incubation in most sites, independent of soil mineralogy. Moreover, we demonstrate the extent to which the diverse chemical composition of SOM converged among sites in response to microbial decomposition. N fertilization decreased soil respiration and inhibited the convergence of molecular composition across ecosystems by altering N demand for microbial metabolism and chemical interactions between minerals and organic molecules. This study provides original evidence that the decomposition and metabolism of labile organic molecules were largely regulated by soil mineralogy (physicochemical preservation), while the metabolism of more complex organic molecules was controlled by substrate complexity (biochemical preservation) independent to mineral-organic interactions. This study advanced our understanding of the dynamic biogeochemical cycling of C by unveiling that N addition dampened C respiration and diminished the convergence of SOM chemistry across diverse grassland ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Mechanistic understanding of speciated oxide growth in high entropy alloys

Abstract Complex multi-element alloys are gaining prominence for structural applications, supplementing steels, and superalloys. Understanding the impact of each element on alloy surfaces due to oxidation is vital in maintaining material integrity. This study investigates oxidation mechanisms in these alloys using a model five-element equiatomic CoCrFeNiMn alloy, in a controlled oxygen environment. The oxidation-induced surface changes correlate with each element’s interactive tendencies with the environment, guided by thermodynamics. Initial oxidation stages follow atomic size and redox potential, with the latter becoming dominant over time, causing composition inversion. The study employs in-situ atom probe tomography, transmission electron microscopy, and X-ray absorption near-edge structure techniques to elucidate the oxidation process and surface oxide structure evolution. Our findings deconvolute the mechanism for compositional and structural changes in the oxide film and will pave the way for a predictive design of complex alloys with improved resistance to oxidation under extreme conditions.

36 MATERIALS SCIENCE↗
NASA NTRS2024

Heterogeneous Outgassing Regions Identified on Active Centaur 29P/Schwassmann–Wachmann 1

Centaurs are transitional objects between primitive trans-Neptunian objects and Jupiter-family comets. Their compositions and activities provide fundamental clues regarding the processes affecting the evolution of and interplay between these small bodies. Here we report observations of centaur 29P/Schwassmann–Wachmann 1 (29P) with the James Webb Space Telescope (JWST). We identified localized jets with heterogeneous compositions driving the outgassing activity. We employed the NIRSpec mapping spectrometer to study the fluorescence emissions of CO and obtain a definitive detection of CO 2 for this target. The exquisite sensitivity of the instrument also enabled carbon and oxygen isotopic signatures to be probed. Molecular maps reveal complex outgassing distributions, such as jets and anisotropic morphology, which indicate that 29P’s nucleus is dominated by active regions with heterogeneous compositions. These distributions could reflect that it has a bilobate structure with compositionally distinct components or that strong differential erosion takes place on the nucleus. As there are no missions currently planning to visit a centaur, these observations demonstrate JWST’s unique capabilities in characterizing these objects.

Sara Faggi↗
NASA NTRS2006

Concordant Rb-Sr and Sm-Nd Ages for NWA 1460: A 340 Ma Old Basaltic Shergottite Related to Lherzolitic Shergottites

Preliminary Rb-Sr and Sm-Nd ages reported by [1] for the NWA 1460 basaltic shergottite are refined to 336+/-14 Ma and 345+/-21 Ma, respectively. These concordant ages are interpreted as dating a lava flow on the Martian surface. The initial Sr and Nd isotopic compositions of NWA 1460 suggest it is an earlier melting product of a Martian mantle source region similar to those of the lherzolitic shergottites and basaltic shergottite EETA79001, lithology B. We also examine the suggestion that generally "young" ages for other Martian meteorites should be reinterpreted in light of Pb-207/Pb-206 - Pb-204/Pb-206 isotopic systematics [2]. Published U-Pb isotopic data for nakhlites are consistent with ages of approx.1.36 Ga. The UPb isotopic systematics of some Martian shergottites and lherzolites that have been suggested to be approx.4 Ga old [2] are complex. We nevertheless suggest the data are consistent with crystallization ages of approx.173 Ma when variations in the composition of in situ initial Pb as well as extraneous Pb components are considered.

Nyquist, L. E.↗
NASA NTRS1990

Behavior of composite/metal aircraft structural elements and components under crash type loads: What are they telling us

Failure behavior results are presented from crash dynamics research using concepts of aircraft elements and substructure not necessarily designed or optimized for energy absorption or crash loading considerations. To achieve desired new designs which incorporate improved energy absorption capabilities often requires an understanding of how more conventional designs behave under crash loadings. Experimental and analytical data are presented which indicate some general trends in the failure behavior of a class of composite structures which include individual fuselage frames, skeleton subfloors with stringers and floor beams but without skin covering, and subfloors with skin added to the frame-stringer arrangement. Although the behavior is complex, a strong similarity in the static and dynamic failure behavior among these structures is illustrated through photographs of the experimental results and through analytical data of generic composite structural models. It is believed that the similarity in behavior is giving the designer and dynamists much information about what to expect in the crash behavior of these structures and can guide designs for improving the energy absorption and crash behavior of such structures.

Carden, Huey D.↗
NASA NTRS1990

Behavior of composite/metal aircraft structural elements and components under crash type loads - What are they telling us?

Failure behavior results are presented from crash dynamics research using concepts of aircraft elements and substructure not necessarily designed or optimized for energy absorption or crash loading considerations. To achieve desired new designs which incorporate improved energy absorption capabilities often requires an understanding of how more conventional designs behave under crash loadings. Experimental and analytical data are presented which indicate some general trends in the failure behavior of a class of composite structures which include individual fuselage frames, skeleton subfloors with stringers and floor beams but without skin covering, and subfloors with skin added to the frame-stringer arrangement. Although the behavior is complex, a strong similarity in the static and dynamic failure behavior among these structures is illustrated through photographs of the experimental results and through analytical data of generic composite structural models. It is believed that the similarity in behavior is giving the designer and dynamists much information about what to expect in the crash behavior of these structures and can guide designs for improving the energy absorption and crash behavior of such structures.

Carden, Huey D.↗
DOE OSTI2017

Application of Multivariate Curve Resolution–Alternate Least Square Technique on Extracting Pure Spectral Components from Multiple Emitting Systems: a Case Study

Multiple emitting components in a fluorophoric system often produce complicated emission spectra. Extracting the individual spectral information from the composite spectra is important in order to comprehend the photophysical processes occurring in the multifluorophoric systems. Although the combination of Principal Component Analysis and Multivariate Curve Resolution-Alternate Least Square (PCA/MCR-ALS) technique is a well-known approach for curve deconvolution, its applicability in the spectral deconvolution of vibronically and electronically mixed up emitting systems as well as systems merged up with multiple electronic bands without a priori knowledge of the individual emitting species, is not properly studied. The present work highlights the strength of PCA/MCR-ALS in retrieving pure spectral information from the set of complex spectra arising out of the regular variation of causative factors that result in the variation of spectral composition. The retrieval of the emission bands utilizing the PCA/MCR-ALS technique has been made without having a priori information of the emitting species present in the multifluorophoric systems and the resolved spectra correspond well with the fluorescence spectra of the individual chemical species. The common curve fitting methods such as Gaussian and Lorentzian techniques have been found to be unsuccessful in providing meaningful photophysical information through the retrieved spectra. A comparative study of the curve fitting techniques MCR-ALS, Gaussian and Lorentzian in a set of complicated emission spectra of (i) pyrene and its excimer, (ii) pyrene and its excimer in presence of benzo[a]pyrene, and (iii) fisetin in bile salt medium is presented herein in details.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2007

Fabrication of Polyimide-Matrix/Carbon and Boron-Fiber Tape

The term HYCARB denotes a hybrid composite of polyimide matrices reinforced with carbon and boron fibers. HYCARB and an improved process for fabricating dry HYCARB tapes have been invented in a continuing effort to develop lightweight, strong composite materials for aerospace vehicles. Like other composite tapes in this line of development, HYCARB tapes are intended to be used to build up laminated structures having possibly complex shapes by means of automated tow placement (ATP) - a process in which a computer-controlled multiaxis machine lays down prepreg tape or tows. The special significance of the present process for making dry HYCARB for ATP is that it contributes to the reduction of the overall cost of manufacturing boron-reinforced composite-material structures while making it possible to realize increased compression strengths. The present process for making HYCARB tapes incorporates a "wet to dry" process developed previously at Langley Research Center. In the "wet to dry" process, a flattened bundle of carbon fiber tows, pulled along a continuous production line between pairs of rollers, is impregnated with a solution of a poly(amide acid) in N-methyl-2-pyrrolidinone (NMP), then most of the NMP is removed by evaporation in hot air. In the present case, the polyamide acid is, more specifically, that of LaRC. IAX (or equivalent) thermoplastic polyimide, and the fibers are, more specifically, Manganite IM7 (or equivalent) polyacrylonitrile- based carbon filaments that have a diameter of 5.2 m and are supplied in 12,000-filament tows. The present process stands in contrast to a prior process in which HYCARB tape was made by pressing boron fibers into the face of a wet carbon-fiber/ poly(amide acid) prepreg tape . that is, a prepreg tape from which the NMP solvent had not been removed. In the present process, one or more layer(s) of side-by-side boron fibers are pressed between dry prepreg tapes that have been prepared by the aforementioned gwet to dry h process. The multilayer tape is then heated to imidize the matrix material and remove most of the remaining solvent, and is pressed to consolidate the multiple layers into a dense tape. For tests, specimens of HYCARB tapes and laminated composite panels made from HYCARB tape were prepared as follows: HYCARB tapes were fabricated as described above. Each panel was made by laying down ten layers of tape, containing, variously, one, two, or three boron-fiber plies and the remainder carbon- fiber-only plies (see figure). Each panel was made by laying down ten layers of tape. Each panel was then cured by heating to a temperature of 225 C for 15 minutes, then pressing at 200 psi (A1.4 MPa) while heating to 371 C, holding at 371 C for 1 hour, then continuing to hold pressure during cooling. Control specimens that were otherwise identical except that they did not contain boron fibers also were prepared. In room-temperature flexural tests, the HYCARB specimens performed comparably to the control specimens; in room-temperature, open-hole compression tests, the HYCARB specimens performed slightly better, by amounts that increased with boron content.

Belvin, Harry L.↗
NASA NTRS2010

An Approximately 4.35 Ga Ar-Ar Age for GRA 8 and the Complex Chronology of its Parent Body

GRA06128 and GRA06129 (hereafter GRA 8 and GRA 9) are partial melts of a parent body of approximately chondritic composition. We reported a conventional Sm-147-Nd-143 isochron age of 4.559+/-0.096 Ga and a 146 Sm-142Nd model age of 4.549+/-0.036 for combined data for the two rocks. Plagioclase plus whole rock and leachate (approx.phosphate) samples gave a secondary Sm-147-Nd-143 age of 3.4+/-0.4 Ga. An Ar-39-Ar-40 age of 4.460+/-0.028 Ga was interpreted as dating metamorphism in GRA 9. We report Ar-39-Ar-40 ages in the range approx.4344-4366 Ma for GRA 8, establishing similar but different Ar-39-Ar-40 ages for the two rocks, consistent with their different Sr-isotopic systematics, and discuss these ages in the context of the complex sequence of events that affected these samples.

Park, J.↗
NASA NTRS2026

Smart Process Planning for Automated Fiber Placement

Many industries, including aerospace, automotive, wind energy, maritime, and sporting goods, rely on strong, lightweight materials called composites. These materials are made by layering fibers, which can come in the form of narrow strips or wider sheets, and setting them in a polymer matrix. One of the most advanced ways to make these parts is through automated fiber placement, where a machine lays down the fibers in precise patterns. This method can create very efficient and strong designs, but it is complex, expensive, and often depends heavily on the experience of skilled engineers. Today, the design, manufacturing, and inspection stages of composite production are usually handled separately. This separation means that important information, such as how a part will be built or what defects might occur, is not always shared between stages. As a result, parts may not be as lightweight, strong, or defect-free as possible, and the process can take longer and cost more. This research develops a smart process planning system that connects design, manufacturing, and inspection into one continuous process. Built as software that works with existing tools, the system can automatically plan how the fibers are placed, predicting and reducing defects while improving both manufacturability and strength. The system optimizes not only individual layers but also how defects are distributed across all layers, preventing them from stacking up in ways that weaken the final part. It also uses inspection results from completed parts to improve future designs, creating a feedback loop where each stage informs the others. The system was tested by designing a composite panel using this new approach and comparing it to a panel made with state-of-the-art manual planning methods. The results showed that the system could intentionally control where defects appeared and increase the efficiency of the planning process. By unifying design, manufacturing, and inspection, this research shows a way to make advanced composite manufacturing more efficient, consistent, and cost-effective. This approach lowers the barrier to using automated fiber placement and opens the door for its wider adoption not only in aerospace but also in industries such as automotive, wind energy, maritime, and sporting goods, where strong and lightweight structures are essential.

Computer-Aided Process Planning↗
DOE OSTI2020

Functional Photoresists for Energy Applications. Final Report

Monolithic ultralow-density porous bulk materials have recently attracted much interest due to many emerging applications in the areas of catalysis, energy storage and conversion, and thermal insulation. They are also important components of high energy density (HED) and inertial confinement fusion (ICF) targets. However, despite tremendous progress that has been made in the synthesis of porous materials, deterministic and independent control over microscopic architecture, density and composition remain key issues, and their integration in high precision devices requires cost and time-intensive mechanical machining that not only reduces reproducibility by generating debris but also limits the complexity of the 3D shapes that can be realized. In this project, we overcame these limitations by developing a universal templating capability that provides deterministic and independent control over density, composition, architecture, and macroscopic sample shape. This was achieved by developing the technology to 1) 3D print ultrahigh resolution, ultra-high precision polymeric micro-lattice templates, 2) coat these templates with the desired materials, and 3) removing the template (Fig. 1a). Atomic layer deposition (ALD) provides the atomic scale coating thickness accuracy required for precisely controlling density. While this templating approach had been demonstrated in prior work, limitations in suitable photoresists, 3D print technologies, print design, and template removal techniques did not allow the fabrication of millimeter-sized high-precision parts with sub-micron resolution. To enable this technology, we developed 1) two-photon polymerization (TPP) print designs that enable the fabrication of millimeter-sized, mechanically robust polymeric templates with sub-micron resolution and 2) a continuum level TPP printing simulation capability for additional print design guidance; 3) atomistic models to study photoresist polymerization kinetics and network topography, 4) refractive index matched polymeric and preceramic TPP photoresists, and 5) functional TPP photoresists including porous voxel structures and self-immolative polymer photoresist chemistries; and 6) damage free template removal techniques that enable the fabrication of defect-free high-precision low-density foam components. We also developed a templating approach for pure carbon microlattices with a unique tube-in-tube ligament morphology. As a test platform, we pursued the fabrication of foam liners that promise to further increase the neutron yield in indirect drive ICF experiments by improving implosion symmetry control and coupling between the laser and the deuterium-tritium fuel. This application requires fabrication and integration of a ultra-high precision, millimeter-sized, thin-walled (200-400 micrometer thick), low-density (10-30 mg/cc), high atomic number (high Z) cylindrical foam tube into the gold hohlraum of an indirect drive ICF target (Fig. 1b). While our hohlraum liner test case will mainly find application in HED and ICF experiments, the underlying science will also directly apply to previously developed nanoparticle and additive manufacturing technologies and will advance those techniques as well.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Edge delamination in angle-ply composite laminates, part 5

A theoretical method was developed for describing the edge delamination stress intensity characteristics in angle-ply composite laminates. The method is based on the theory of anisotropic elasticity. The edge delamination problem is formulated using Lekhnitskii's complex-variable stress potentials and an especially developed eigenfunction expansion method. The method predicts exact orders of the three-dimensional stress singularity in a delamination crack tip region. With the aid of boundary collocation, the method predicts the complete stress and displacement fields in a finite-dimensional, delaminated composite. Fracture mechanics parameters such as the mixed-mode stress intensity factors and associated energy release rates for edge delamination can be calculated explicity. Solutions are obtained for edge delaminated (theta/-theta theta/-theta) angle-ply composites under uniform axial extension. Effects of delamination lengths, fiber orientations, lamination and geometric variables are studied.

Wang, S. S.↗
NASA NTRS2010

An Approximately 4.35 Ga Ar-Ar Age for GRA 8 and the Complex Chronology of its Parent Body

GRA06128 and GRA06129 (hereafter GRA 8 and GRA 9) are partial melts of a parent body of approximately chondritic composition. We reported a conventional SM-147Sm-ND_143 isochron age of 4.559 +/-.096 Ga and a SM-146-142Nd model age of 4.549 +/- 0.036 for combined data for the two rocks. Plagioclase plus whole rock and leachate (approximately phosphate) samples gave a secondary SM-147-ND-143 age of 3.4 +/-0.4 Ga. An Ar-39-Ar-40 age of 4.460+/-0.028 Ga was interpreted by as dating metamorphism in GRA 9. We report Ar-39-Ar-40 ages in the range approximately 4344-4366 Ma for GRA 8, establishing similar but different Ar-39-Ar-40 ages for the two rocks, consistent with their different Sr-istopic systematics, and discuss these ages in the context of the complex sequence of events that affected these samples

Park, J.↗
NASA NTRS2020

Mineralogy and Geochemistry of Sedimentary Rocks and Eolian Sediments in Gale Crater, Mars: A Review After Six Earth Years of Exploration with Curiosity

The Mars Science Laboratory Curiosity rover arrived at Mars in August 2012 with a primary goal of characterizing the habitability of ancient and modern environments. Curiosity was sent to Gale crater to study a sequence of ∼3.5 Ga old sedimentary rocks that, based on orbital visible and near- to short-wave infrared reflectance spectra, contain secondary minerals that suggest deposition and/or alteration in liquid water. The sedimentary sequence in the lower slopes of Mount Sharp in Gale crater preserves a dramatic shift on early Mars from a relatively warm and wet climate to a cold and dry climate, based on a transition from smectite-bearing strata to sulfate-bearing strata. The rover is equipped with instruments to examine the sedimentology and identify compositional changes in the stratigraphy. The Chemistry and Mineralogy (CheMin) instrument is one of two internal laboratories on Curiosity and includes a transmission X-ray diffractometer (XRD) and X-ray fluorescence (XRF) spectrometer. CheMin measures loose sediment samples scooped from the surface and drilled rock powders, and the XRD provides quantitative mineralogy to a detection limit of ∼1 wt.% for crystalline phases. Curiosity has traversed>20 km since landing and has primarily been exploring an ancient lake environment fed by streams and groundwater. Of the 19 drilled rock samples analyzed by CheMin as of sol 2300 (January 2019), 15 are from fluvio-lacustrine deposits that comprise the Bradbury and Murray formations. Most of these samples were drilled from units that did not have a clear mineralogical signature from orbit. Results from CheMin demonstrate an astounding diversity in the mineralogy of these rocks that signifies geochemical variations in source rocks, transportation mechanisms, and depositional and diagenetic fluids. Most detrital igneous minerals are basaltic, but the discovery in a few samples of abundant silicate minerals that usually crystallize from evolved magmas on Earth remains enigmatic. Trioctahedral smectite and magnetite at the base of the section may have formed from low-salinity pore waters with a circumneutral pH in lake sediments. A transition to dioctahedral smectite, hematite, and Ca-sulfate going up section suggests a change to more saline and oxidative aqueous conditions in the lake waters themselves and/or in diagenetic fluids. Perhaps one of the biggest mysteries revealed by CheMin is the high abundance of X-ray amorphous materials (15–73 wt.%) in all samples drilled or scooped to date. CheMin has analyzed three modern eolian sands, which have helped constrain sediment transport and mineral segregation across the active Bagnold Dune Field. Ancient eolian sandstones drilled from the Stimson formation differ from modern eolian sands in that they contain abundant magnetite but no olivine, suggesting that diagenetic processes led to the alteration of olivine to release Fe(II) and precipitate magnetite. Fracture-associated halos in the Stimson and the Murray formations are evidence for complex aqueous processes long after the streams and lakes vanished from Gale crater. The sedimentology and composition of the rocks analyzed by Curiosity demonstrate that habitable environments persisted intermittently on the surface or in the subsurface of Gale crater for perhaps more than a billion years.

E.B. Rampe↗
DOE OSTI2021

Local molecular environment drives speciation and reactivity of ion complexes in concentrated salt solution

The speciation and reactivity of aqueous salt solutions are important for a wide variety of applications. However, application of this information is inhibited by broad disagreement about composition, mechanisms, and structure in concentrated solutions especially. Here, neutron diffraction with isotopic substitution measurements on aqueous zinc chloride solutions are used to calibrate molecular dynamics simulations that include effective electronic polarization. This allows us to probe the origin of speciation and reactivity of zinc chloride-water ion complexes, ZnCl x (H 2 O) y 2-x (x ≤ 4 and y ≤ 6), by comparing the reactivity of species in concentrated (4.5 m) and dilute (0.01 m) conditions. Within the concentrated solution, it is found that the extended solvation environment is dominated by solvent-separated ion complexes whose presence increases the free energy of activation for interconversion of species while simultaneously enhancing their thermodynamic stability. This concentration-dependent reactivity and stability suggests that other reactions, such as the nucleation of solid phases, will also be affected.

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

Tailoring composition and deformation modes at the microstructural level for next generation low-cost high-strength austenitic stainless steels

The objective of this project is to enable deliberate development of cost-effective, hydrogen resistant alloys by establishing detailed relationships specific to the effects of alloy composition, short-range order (SRO), and microsegregation in the presence of hydrogen on the transition between homogeneous deformation and localized plasticity in shear bands. In collaboration with the International Institute for Carbon-Neutral Energy Research, I2CNER, at Kyushu University in Japan, we conceptualized, designed, and manufactured four austenitic alloys that maintain corrosion resistance and ensure lower cost relative to baseline commercial alloys. The mechanical properties and deformation modes of the novel alloys (KU alloys) were assessed in the presence of hydrogen (H). Correlations between composition and performance revealed that two of the KU alloys are suitable replacements for 316 steel, while another is a viable replacement for 304 steel at room temperature. We found that, in the presence of other austenite stabilizing elements namely Mn and N, replacing Ni with Cu does not lead to martensite formation as has been previously reported.1–3 Furthermore, we found that the addition of Cu leads to an earlier onset of multiple slip resulting in an relative earlier onset of a higher work hardening rate (WHR). Greater understanding of the relationships between alloy composition and SRO required the development of a novel advanced electron diffraction methodology to characterize SRO in complex FCC alloys. This innovative approach, which combines fluctuation and correlation analyses of diffuse-scattering signals, successfully differentiated between SRO and long-range ordering (LRO). Further investigations into annealed austenitic stainless steels could provide insights into manipulating SRO and its effects on material properties. Atomistic simulations provided understanding of SRO behavior that was difficult to capture experimentally. This project created the first spin cluster expansion model that is able to capture and describe SRO effects in Fe-Ni-Cr FCC alloys, accounting for the non-negligible effects of magnetism. An automated computational workflow was established to provide reliable predictions of SRO in Fe-Ni-Cr austenitic alloys, both with and without the presence of H atoms. Analysis of the propensity for SRO in Fe-Ni-Cr alloys revealed that H tends to cluster with specific, well-defined SRO domains. The computational framework is general purpose and can be extended to realistic stainless steels across diverse composition ranges. With confidence that SRO is possible in austenitic stainless steels, we developed a discrete dislocation finite element code to understand the interaction of dislocations with SRO in the presence of H. By incorporating H effects on the dislocation emission and SRO stress field we show that the critical stress for the dislocation pileup to breakthrough the SRO domain decreases in the presence of H, which directly contributes localized deformation at the macroscale. Through the simulation of a uniaxial tension test, we demonstrated that H-induced weakening of SRO stress field and H-enhanced dislocation emission can lead to the onset of shear localization at lower macroscopic strains. As a whole, this project identified three novel alloys that show improvements in performance and cost efficiency for H-facing applications by studying correlations between alloy chemistry and deformation behavior. We also made significant advancements to experimental and computational methodologies necessary to study the chemistry and distribution of SRO across a range of alloys, which in turn allowed us to demonstrate how deformation mechanisms change due to the contributions of SRO in austenitic alloys in the presence of H. The combined advancements in fundamental understanding with novel alloy development in this project has increased the viability of next generation H-technologies for the broader public through accessible low-cost alloys and accelerated development towards future H-infrastructure.

08 HYDROGEN↗
DOE OSTI2020

Macromolecular gelatin properties affect fibrin microarchitecture and tumor spheroid behavior in fibrin-gelatin gels

The biophysical properties of extracellular matrices (ECM) are known to regulate cell behavior, however decoupling cell behavior changes due to the relative contributions of material microstructure versus biomechanics or nutrient permeability remains challenging, especially within complex, multi-material matrices. We developed four gelatin-fibrin interpenetrating network (IPN) formulations which are identical in composition but possess variable gelatin molecular weight distributions, and display differences in microstructure, biomechanics, and diffusivity. In this work we interrogate the response of multicellular tumor spheroids to these IPN formulations and found that a high stiffness, gelatin-network dominated IPNs impeded remodeling and invasion of multicellular tumor spheroids; whereas relatively lower stiffness, fibrin-network dominated IPNs permitted protease-dependent remodeling and spheroid invasion. Cell proliferation correlated to nutrient diffusivity across tested IPN formulations. These findings demonstrate the complexity of ECM IPNs, relative to single polymer matrices, and highlight that cell response does not derive from a single aspect of the ECM, but rather from the interplay of multiple biomechanical properties. The methodology developed in this study represents a framework for future studies which aim to characterize cellular phenotypic responses to biophysical cues present within complex, multi-material matrices.

36 MATERIALS SCIENCE↗
NASA NTRS1973

Computer program for calculation of thermodynamic and transport properties of complex chemical systems

Program performs calculations such as chemical equilibrium for assigned thermodynamic states, theoretical rocket performance for both equilibrium and frozen compositions during expansion, incident and reflected shock properties, and Chapman-Jouget detonation properties. Features include simplicity of input and storage of all thermodynamic and transport property data on master tape.

Svehla, R. A.↗