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NASA NTRS2003

CARES/LIFE Ceramics Analysis and Reliability Evaluation of Structures Life Prediction Program

This manual describes the Ceramics Analysis and Reliability Evaluation of Structures Life Prediction (CARES/LIFE) computer program. The program calculates the time-dependent reliability of monolithic ceramic components subjected to thermomechanical and/or proof test loading. CARES/LIFE is an extension of the CARES (Ceramic Analysis and Reliability Evaluation of Structures) computer program. The program uses results from MSC/NASTRAN, ABAQUS, and ANSYS finite element analysis programs to evaluate component reliability due to inherent surface and/or volume type flaws. CARES/LIFE accounts for the phenomenon of subcritical crack growth (SCG) by utilizing the power law, Paris law, or Walker law. The two-parameter Weibull cumulative distribution function is used to characterize the variation in component strength. The effects of multiaxial stresses are modeled by using either the principle of independent action (PIA), the Weibull normal stress averaging method (NSA), or the Batdorf theory. Inert strength and fatigue parameters are estimated from rupture strength data of naturally flawed specimens loaded in static, dynamic, or cyclic fatigue. The probabilistic time-dependent theories used in CARES/LIFE, along with the input and output for CARES/LIFE, are described. Example problems to demonstrate various features of the program are also included.

Nemeth, Noel N.↗

NASA NTRS2003

Characterization of Al-Cu-Mg-Ag Alloy RX226-T8 Plate

Aluminum-copper-magnesium-silver (Al-Cu-Mg-Ag) alloys that were developed for thermal stability also offer attractive ambient temperature strength-toughness combinations, and therefore, can be considered for a broad range of airframe structural applications. The current study evaluated Al-Cu-Mg-Ag alloy RX226-T8 in plate gages and compared performance with sheet gage alloys of similar composition. Uniaxial tensile properties, plane strain initiation fracture toughness, and plane stress tearing resistance of RX226-T8 were examined at ambient temperature as a function of orientation and thickness location in the plate. Properties were measured near the surface and at the mid-plane of the plate. Tensile strengths were essentially isotropic, with variations in yield and ultimate tensile strengths of less than 2% as a function of orientation and through-thickness location. However, ductility varied by more than 15% with orientation. Fracture toughness was generally higher at the mid-plane and greater for the L-T orientation, although the differences were small near the surface of the plate. Metallurgical analysis indicated that the microstructure was primarily recrystallized with weak texture and was uniform through the plate with the exception of a fine-grained layer near the surface of the plate. Scanning electron microscope analysis revealed Al-Cu-Mg second phase particles which varied in composition and were primarily located on grain boundaries parallel to the rolling direction. Fractography of toughness specimens for both plate locations and orientations revealed that fracture occurred predominantly by transgranular microvoid coalescence. Introduction High-strength, low-density Al-Cu-Mg-Ag alloys were initially developed to replace conventional 2000 (Al-Cu-Mg) and 7000 (Al-Zn-Cu-Mg) series aluminum alloys for aircraft structural applications [1]. During the High Speed Civil Transport (HSCT) program, improvements in thermal stability were demonstrated for candidate aircraft wing and fuselage skin materials through the addition of silver to Al-Cu-Mg alloys based on Al 2519 chemistry [2]. Thermal stability of the resulting Al-Cu-Mg-Ag alloys, C415-T8 and C416-T8, was due to co-precipitation of the thermally stable . (AlCu) and ' (Al2Cu) strengthening phases [1-4]. The strength and toughness behavior was investigated for these alloys produced as 0.090-inch thick rolled sheet in the T8 condition and after various thermal exposures. The mechanical properties were shown to be competitive with conventional aircraft alloys, 2519-T8 and 2618-T8 [2]. During the Integral Airframe Structure (IAS) program, advanced aluminum alloys were examined for use in an integrally stiffened airframe structure where the skin and stiffeners would be machined from plate and extruded frames would be mechanically attached (see Figure 1) [5]. Advantages of integrally stiffened structure include reduced part count, and reduced assembly times compared to conventional built-up airframe structure. The near-surface properties of a thick plate are of significance for a machined integrally stiffened airframe structure since this represents the skin location. Properties measured at the mid-plane of the plate are more representative of the stiffener web. RX226 was developed to exploit strength-toughness improvements and thermal stability benefits of Al-Cu-Mg-Ag alloys in plate gages. This study evaluated the microstructure and properties of three gages of plate produced in the T8 condition.

Lach, Cynthia L.↗

NASA NTRS1996

Single residue substitutions that change the gating properties of a mechanosensitive channel in Escherichia coli

MscL is a channel that opens a large pore in the Escherichia coli cytoplasmic membrane in response to mechanical stress. Previously, we highly enriched the MscL protein by using patch clamp as a functional assay and cloned the corresponding gene. The predicted protein contains a largely hydrophobic core spanning two-thirds of the molecule and a more hydrophilic carboxyl terminal tail. Because MscL had no homology to characterized proteins, it was impossible to predict functional regions of the protein by simple inspection. Here, by mutagenesis, we have searched for functionally important regions of this molecule. We show that a short deletion from the amino terminus (3 amino acids), and a larger deletion of 27 amino acids from the carboxyl terminus of this protein, had little if any effect in channel properties. We have thus narrowed the search of the core mechanosensitive mechanism to 106 residues of this 136-amino acid protein. In contrast, single residue substitutions of a lysine in the putative first transmembrane domain or a glutamine in the periplasmic loop caused pronounced shifts in the mechano-sensitivity curves and/or large changes in the kinetics of channel gating, suggesting that the conformational structure in these regions is critical for normal mechanosensitive channel gating.

Non-NASA Center↗

NASA NTRS2001

High-Frequency Focused Water-Coupled Ultrasound Used for Three-Dimensional Surface Depression Profiling

To interface with other solids, many surfaces are engineered via methods such as plating, coating, and machining to produce a functional surface ensuring successful end products. In addition, subsurface properties such as hardness, residual stress, deformation, chemical composition, and microstructure are often linked to surface characteristics. Surface topography, therefore, contains the signatures of the surface and possibly links to volumetric properties, and as a result serves as a vital link between surface design, manufacturing, and performance. Hence, surface topography can be used to diagnose, monitor, and control fabrication methods. At the NASA Glenn Research Center, the measurement of surface topography is important in developing high-temperature structural materials and for profiling the surface changes of materials during microgravity combustion experiments. A prior study demonstrated that focused air-coupled ultrasound at 1 MHz could profile surfaces with a 25-m depth resolution and a 400-m lateral resolution over a 1.4-mm depth range. In this work, we address the question of whether higher frequency focused water-coupled ultrasound can improve on these specifications. To this end, we employed 10- and 25-MHz focused ultrasonic transducers in the water-coupled mode. The surface profile results seen in this investigation for 25-MHz water-coupled ultrasound, in comparison to those for 1-MHz air-coupled ultrasound, represent an 8 times improvement in depth resolution (3 vs. 25 m seen in practice), an improvement of at least 2 times in lateral resolution (180 vs. 400 m calculated and observed in practice), and an improvement in vertical depth range of 4 times (calculated).

Roth, Don J.↗

NASA NTRS2012

Combined Effects of Gamma Radiation and High Dietary Iron on Peripheral Leukocyte Distribution and Function

Both radiation and increased iron stores can independently increase oxidative damage, resulting in protein, lipid and DNA oxidation. Oxidative stress increases the risk of many health problems including cancer, cataracts, and heart disease. This study, a subset of a larger interdisciplinary investigation of the combined effect of iron overload on sensitivity to radiation injury, monitored immune parameters in the peripheral blood of rats subjected to gamma radiation, high dietary iron or both. Specific immune measures consisted of: (1) peripheral leukocyte distribution, (2) plasma cytokine levels and (3) cytokine production profiles following whole blood mitogenic stimulation

Crucian, Brian E.↗

NASA NTRS2013

Climate Variability and Impact at NASA's Marshal Space Flight Center

Climate analysis for the Southeast U. S. has indicated that inland regions have experienced an average temperature increase of 2F since 1970. This trend is generally characterized by warmer winters with an indication of increased precipitation in the Fall season. Extended periods of limited rainfall in the Spring and Summer periods have had greater areal coverage and, at other times the number of precipitation events has been increasing. Climate model projections for the next 10-70 years indicate warmer temperatures for the Southeast U.S., particularly in the Spring and Summer, with some indication of more extremes in temperature and precipitation as shown in the table below. The realization of these types of regional climate changes in the form of extended heat waves and droughts and their subsequent stress on facilities, infrastructure, and workforce could have substantial impact on the activities and functions of NASA's Marshall Space Flight Center (MSFC) in Huntsville, Alabama. This presentation will present the results of an examination of the 100 year temperature and precipitation record for MSFC. Local warming has cause an increase in daily maximum and minimum temperatures by nearly 3F, with a substantial increase in the number of maximum temperatures exceeding 90F and a decrease in the number of days with minimum temperatures below freezing. These trends have substantial impact of the number of heating / cooling degree days for the area. Yearly precipitation totals are inversely correlated with the change in mean temperature and the frequency of heavy rain events has remain consistent with the changes in yearly totals. An extended heat wave index was developed which shows an increase in frequency of heat waves over the last 35 years and a subsequent reduction in precipitation during the heat waves. This trend will contribute to more intense drought conditions over the northern Alabama region, increasing the potential of destructive wildfires in and around the Center. MSFC has begun using this climate change information to adapt short-term and long-term plans for Center operations.

Smoot, James L.↗

NASA NTRS2015

Overview of the Space Launch System Transonic Buffet Environment Test Program

Fluctuating aerodynamic loads are a significant concern for the structural design of a launch vehicle, particularly while traversing the transonic flight environment. At these trajectory conditions, unsteady aerodynamic pressures can excite the vehicle dynamic modes of vibration and result in high structural bending moments and vibratory environments. To ensure that vehicle structural components and subsystems possess adequate strength, stress, and fatigue margins in the presence of buffet and other environments, buffet forcing functions are required to conduct the coupled load analysis of the launch vehicle. The accepted method to obtain these buffet forcing functions is to perform wind-tunnel testing of a rigid model that is heavily instrumented with unsteady pressure transducers designed to measure the buffet environment within the desired frequency range. Two wind-tunnel tests of a 3 percent scale rigid buffet model have been conducted at the Langley Research Center Transonic Dynamics Tunnel (TDT) as part of the Space Launch System (SLS) buffet test program. The SLS buffet models have been instrumented with as many as 472 unsteady pressure transducers to resolve the buffet forcing functions of this multi-body configuration through integration of the individual pressure time histories. This paper will discuss test program development, instrumentation, data acquisition, test implementation, data analysis techniques, and several methods explored to mitigate high buffet environment encountered during the test program. Preliminary buffet environments will be presented and compared using normalized sectional buffet forcing function root-meansquared levels along the vehicle centerline.

Piatak, David J.↗

NASA NTRSDate not supplied

Spaceflight Food System Impacts to Nutritional Adequacy, Health, Performance, and Resources in Space Exploration

Despite high physical standards and training protocols, physiological and behavioral decrements have been documented in astronauts on both short (1-2 weeks) and long (6+ month) missions in spaceflight, including dysregulation of the immune system, cardiovascular and musculoskeletal deconditioning, ophthalmic changes, weight loss, and increased stress and fatigue. Optimizing food and nutrition intakes are key underpinnings for the proper function and performance of all physiological systems and the resulting physical and behavioral health and performance outcomes of astronauts. Much has been learned about the role of nutrition in human health on Earth over the past hundred years, from the identity and role of specific vitamins to the importance of the quantities of some nutrients to immune function. The requirements for providing adequate nutrition to astronauts seem obvious. However, providing a safe, reliable, and nutritious food system for space exploration missions remains a challenge. In fact, food is one of the greatest resource and logistical challenges, which is part of why it remains a “red” risk for Mars missions.

Grace L Douglas↗

NASA NTRS1992

Truss topology optimization with simultaneous analysis and design

Strategies for topology optimization of trusses for minimum weight subject to stress and displacement constraints by Simultaneous Analysis and Design (SAND) are considered. The ground structure approach is used. A penalty function formulation of SAND is compared with an augmented Lagrangian formulation. The efficiency of SAND in handling combinations of general constraints is tested. A strategy for obtaining an optimal topology by minimizing the compliance of the truss is compared with a direct weight minimization solution to satisfy stress and displacement constraints. It is shown that for some problems, starting from the ground structure and using SAND is better than starting from a minimum compliance topology design and optimizing only the cross sections for minimum weight under stress and displacement constraints. A member elimination strategy to save CPU time is discussed.

Sankaranarayanan, S.↗

DOE OSTI2019

Evolutionary Divergence of Duplicated Hsf Genes in Populus

Heat shock transcription factors (Hsfs), which function as the activator of heat shock proteins (Hsps), play multiple roles in response to environmental stress and the development of plants. The Hsf family had experienced gene expansion via whole-genome duplication from a single cell algae to higher plants. Yet, how the Hsf gene family went through evolutionary divergence after genome duplication is unknown. As a model wood species, Populus trichocarpa is widely distributed in North America with various ecological and climatic environments. In this study, we used P. trichocarpa as materials and identified the expression divergence of the PtHsf gene family in developmental processes, such as dormant bud formation and opening, catkins development, and in response to environments. Through the co-expression network, we further discovered the divergent co-expressed genes that related to the functional divergence of PtHsf . Then, we studied the alternative splicing events, single nucleotide polymorphism distribution and tertiary structures of members of the PtHsf gene family. In addition to expression divergence, we uncovered the evolutionary divergence in the protein level which may be important to new function formations and for survival in changing environments. This study comprehensively assessed the evolutionary divergence of a member of the PtHsf gene family after genome duplication, paving the way for further gene function analysis and genetic engineering.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Dual incorporation of non-canonical amino acids enables production of post-translationally modified selenoproteins

Post-translational modifications (PTMs) can occur on almost all amino acids in eukaryotes as a key mechanism for regulating protein function. The ability to study the role of these modifications in various biological processes requires techniques to modify proteins site-specifically. One strategy for this is genetic code expansion (GCE) in bacteria. The low frequency of post-translational modifications in bacteria makes it a preferred host to study whether the presence of a post-translational modification influences a protein’s function. Genetic code expansion employs orthogonal translation systems engineered to incorporate a modified amino acid at a designated protein position. Selenoproteins, proteins containing selenocysteine, are also known to be post-translationally modified. Selenoproteins have essential roles in oxidative stress, immune response, cell maintenance, and skeletal muscle regeneration. Their complicated biosynthesis mechanism has been a hurdle in our understanding of selenoprotein functions. As technologies for selenocysteine insertion have recently improved, we wanted to create a genetic system that would allow the study of post-translational modifications in selenoproteins. By combining genetic code expansion techniques and selenocysteine insertion technologies, we were able to recode stop codons for insertion of N ε -acetyl- l -lysine and selenocysteine, respectively, into multiple proteins. The specificity of these amino acids for their assigned position and the simplicity of reverting the modified amino acid via mutagenesis of the codon sequence demonstrates the capacity of this method to study selenoproteins and the role of their post-translational modifications. Moreover, the evidence that Sec insertion technology can be combined with genetic code expansion tools further expands the chemical biology applications.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2009

Validation of Procedures for Monitoring Crewmember Immune Function

There is ample evidence to suggest that space flight leads to immune system dysregulation, however the nature of the phenomenon as it equilibrates over longer flights has not been determined. This dysregulation may be a result of microgravity, confinement, physiological stress, radiation, environment or other mission-associated factors. The clinical risk (if any) for exploration-class space flight is unknown, but may include increased incidence of infection, allergy, hypersensitivity, hematological malignancy or altered wound healing. The objective of this Supplemental Medical Objective (SMO) is to determine the status of the immune system, physiological stress and latent viral reactivation (a clinical outcome that can be measured) during both short and long-duration spaceflight. In addition, this study will develop and validate an immune monitoring strategy consistent with operational flight requirements and constraints. Pre-mission, in-flight and post-flight blood and saliva samples will be obtained from participating crewmembers. Assays included peripheral immunophenotype, T cell function, cytokine profiles (RNA, intracellular, secreted), viral-specific immunity, latent viral reactivation (EBV, CMV, VZV), and stress hormone measurements. This study is currently ongoing. To date, 10 short duration and 5 long-duration crewmembers have completed the study. Technically, the study is progressing well. In-flight blood samples are being collected, and returned for analysis, including functional assays that require live cells. For all in-flight samples to date, sample viability has been acceptable. Preliminary data (n = 4/7; long/short duration, respectively) indicate that distribution of most peripheral leukocyte subsets is largely unaltered during flight. Exceptions include elevated T cells, reduced B/NK cells, increased memory T cells and increased central memory CD8+ T cells. General T cell function, early blastogenesis response to mitogenic stimulation, is markedly reduced in-flight. In-vivo cytokine production profiles are altered, with in-flight dysregulation observed in the Th1/Th2/Treg equilibrium. EBV specific T cell levels are increased during flight, whereas their function is reduced. VZV reactivation was observed inflight and several days post flight with highest levels measured later during long-duration flight. The shedding of CMV in the urine was detected of 4/5 long duration and 4/7 short duration crewmembers. Plasma cortisol was not elevated during flight. Further data will be required to validate the initial observations.

Crucian, Brian↗

DOE OSTI2023

Burst Pressure Solutions of Thin and Thick-Walled Cylindrical Vessels

Pressure vessels (PVs) are widely used in the energy industry. Accurate burst pressure is critical to structural design and safe operation for both thin and thick-walled PVs. The traditional strength theories utilized a single-parameter material property, such as the yield stress or the ultimate tensile stress (UTS) to develop failure models for determining the yield or ultimate pressure carrying capacity in the PV design. The UTS-based Barlow formula is a typical burst pressure model developed from the Tresca strength theory that provides the basis for developing regulation rules and failure models for different industry design codes, such as ASME BPVC, ASME B31.3, and ASME B31G, among others. In order to reduce the conservatism of the Tresca strength model, ASME BPVC recently adapted failure models developed from the von Mises strength theory for the PV design and analysis. It has been commonly accepted that the burst pressure of pipelines depends on the UTS and strain hardening exponent, n, of the pipeline steel. An average shear stress yield theory was thus developed, and the Zhu-Leis solution of burst pressure was obtained as a function of UTS and n for thin-walled line pipes. Experiments showed that the Zhu-Leis solution provides an accurate, reliable prediction of burst pressure for defect-free thin-walled pipes. In order to extend the Zhu–Leis solution to thick-walled cylindrical PVs, this paper defined three new flow stresses, modified the traditional strength theories, and obtained three new burst pressure solutions that are valid for both thin and thick-walled cylindrical vessels. The proposed flow stresses are able to describe the tensile strength and the plastic flow response of PVs for a strain hardening steel. The associated strength theories were then developed in terms of the Tresca, von Mises, and Zhu-Leis yield criteria. From these new strength theories, three burst pressure solutions were obtained for thick-walled cylinders, where the von Mises solution is an upper bound prediction, the Tresca solution is a lower bound prediction, and the Zhu-Leis solution is an intermediate prediction of burst pressure for thick-walled cylinders. Lastly, the proposed burst pressure solutions were evaluated and validated by two large datasets of full-scale burst tests for thick-walled tubes and for thin-walled pipes.

42 ENGINEERING↗

DOE OSTI2020

Investigation of a Novel Salt Stress-Responsive Pathway Mediated by Arabidopsis DEAD-Box RNA Helicase Gene AtRH17 Using RNA-Seq Analysis

Previously, we reported that overexpression of AtRH17, an Arabidopsis DEAD-box RNA helicase gene, confers salt stress-tolerance via a pathway other than the well-known salt stress-responsive pathways. To decipher the salt stress-responsive pathway in AtRH17-overexpressing transgenic plants (OXs), we performed RNA-Sequencing and identified 397 differentially expressed genes between wild type (WT) and AtRH17 OXs. Among them, 286 genes were upregulated and 111 genes were downregulated in AtRH17 OXs relative to WT. Gene ontology annotation enrichment and KEGG pathway analysis showed that the 397 upregulated and downregulated genes are involved in various biological functions including secretion, signaling, detoxification, metabolic pathways, catabolic pathways, and biosynthesis of secondary metabolites as well as in stress responses. Genevestigator analysis of the upregulated genes showed that nine genes, namely, LEA4-5, GSTF6, DIN2/BGLU30, TSPO, GSTF7, LEA18, HAI1, ABR, and LTI30, were upregulated in Arabidopsis under salt, osmotic, and drought stress conditions. In particular, the expression levels of LEA4-5, TSPO, and ABR were higher in AtRH17 OXs than in WT under salt stress condition. Taken together, our results suggest that a high AtRH17 expression confers salt stress-tolerance through a novel salt stress-responsive pathway involving nine genes, other than the well-known ABA-dependent and ABA-independent pathways.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1986

Effect of texture on magnetoacoustic stress measurement in steel

The effect of texture on the general stress measurements of a heavily cold rolled steel plate is analyzed. Changes in the acoustic natural velocity for plate samples with their long axes perpendicular, parallel, and in a 40 degree direction with respect to the rolling axis were measured; graphs of the velocity variations for the three samples are provided. It is observed that the negative minimum change in the acoustic natural velocity under residual compression for the perpendicular sample is about half that of the parallel and 40 degree samples indicating that the functional form of the velocity curve is influenced by the structural properties of the sample; however, the stress measurements are unaffected by the texture.

Namkung, M.↗

NASA NTRS2016

Design and Growth of Novel Compounds for Radiation Sensors: Multinary Chalcogenides

Increasing threats of radiological weapons have revitalized the researches for low cost large volume -ray and neutron ray sensors In the past few years we have designed and grown ternary and quaternary lead and thallium chalcogenides and lead selenoiodides for detectors to meet these challenges. These materials are congruent, can be tailored to enhance the parameters required for radiation sensors. In addition, this class of compounds can be grown by Bridgman method which promises for large volume productions. We have single crystals of several compounds from the melt including Tl3AsSe3, Tl3AsSe3-xSx, TlGaSe2, AgGaGe3Se8, AgxLi1-xAgGaGe3Se8 and PbTlI5-x Sex compounds. Experimental studies indicate that these have very low absorption coefficient, low defect density and can be fabricated in any shape and sizes. These crystals do not require post growth annealing and do not show any second phase precipitates when processed for electrode bonding and other fabrication steps. In this paper we report purification, growth and fabrication of large Tl3AsSe3 (TAS) crystals. We observed that TAS crystals grown by using further purification of as supplied high purity source materials followed by directionally solidified charge showed higher resistivity than previously reported values. TAS also showed constant value as the function of voltage. A low thermal gradient and high purity source material were used to reduce thermal stresses in large crystals. By improving the purification of the as supplied source materials very high quality thallium, selenium and arsenic was achieved for preparing stoichiometric Tl3AsSe3 compound. Low gradient (<20K/cm) and slow growth rate (1-2 cm/day) produced crystals with reduced stress. Crystals did not show any micro cracking during fabrication of crystals grown with high purity and at low thermal gradient. Since thallium is a major component and very sensitive to surface oxidation, removal of surface and bulk oxides is very important. Intentional increase in the growth rate from 1cm/day to higher speed (>5cm/day) showed very different morphologies on the surface of the crystals. Electrical resistivity was one order of magnitude higher than previously reported value and it was observed to be constant as the function of frequency.

Singh, N. B.↗

DOE OSTI2018

Shear-Assisted Formation of Cation-Disordered Rocksalt NaMO 2 (M = Fe or Mn)

Herein we report the synthesis of cation-disordered rocksalt NaMO 2 (M = 3d transition metal), i.e., NaFeO 2–δ (δ ~ 0.18), for the first time via a martensitic-like phase transformation from β-NaFeO 2 . This disordered rocksalt NaFeO 2–δ does not exhibit long-range cation ordering, as evidenced by synchrotron X-ray diffraction, neutron diffraction, and transmission electron microscopy analyses. Pair distribution function analysis revealed that although the cation sublattice mostly preserved the rocksalt symmetry, O atoms were significantly displaced to accommodate the different Na + –O, Fe 2+ –O, and Fe 3+ –O bond lengths (~2.4, 2.1, and 2 Å, respectively). In addition, we confirmed the presence of O vacancies and partial Fe reduction from 3+ to 2+ in NaFeO 2–δ based on 57 Fe Mössbauer and X-ray absorption spectroscopy analyses. Controlled experiments revealed that three factors are essential for the successful synthesis of the rocksalt structure: (1) an appropriate precursor structure, (2) the application of a large stress by high-energy milling, and (3) the creation of O vacancies via carbon reduction. Density functional theory calculations demonstrated that these factors substantially affect the energetics of the minimum-energy reaction path of the phase transformation, making the highly metastable disordered rocksalt phase accessible. Our work suggests the effectiveness of mechanical milling to access metastable phases that are structurally related to the precursors via a shearing transformation. Utilizing this mechanism, we were able to predict and synthesize another cation-disordered rocksalt structure, NaMnO 2 , and explain the syntheses of several other related materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Vacancy-mediated transport and segregation tendencies of solutes in FCC Ni under diffusional creep

Nickel-based alloys are known for their excellent corrosion resistance and high-temperature strength. However, at high temperatures, polycrystals experience grain boundary-stress-driven vacancy diffusion leading to diffusion-driven creep. Understanding the fundamentals of defect migration is essential to predict diffusion creep behavior. In this talk, we explore the Nabarro-Herring diffusion creep and the associated solute segregation that is likely to result from the different diffusivities of the solute and solvent elements. Density functional theory calculations are performed to determine the formation, migration and binding energies of the solute and vacancy defects in stress-free and stressed states. The dilute-limit transport coefficients are then calculated using the self-consistent mean field theory as implemented in the Kinetic Cluster Expansion (KineCluE) code. Predictions of diffusion creep strain rates and solute segregation are then presented for various solutes, stress and temperatures. This work opens research avenues for exploration of diffusion creep via characterization of elemental segregation to grain boundaries.

36 MATERIALS SCIENCE↗