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At least 415 records · Page 23

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Phase-Field Modeling of Materials Interfaces and Nanostructures

Nanostructured materials offer unique properties for a wide range of energy applications. Among various known processing methods, liquid metal dealloying (LMD)—the selective dissolution of a base alloy element into a metallic melt—has emerged as a powerful technique to produce a new class of nano-/meso-scale open porous and bicontinuous composite structures with ultra-high interfacial area. LMD has recently been complemented by the advent of vapor phase dealloying (VPD), a novel technique that exploits the selective evaporation of one element from a parent alloy containing elements with very different vapor pressures, thereby enabling to fabricate open nanoporous structures of various elements from less-noble metals to inorganic elements regardless of their chemical activity without requiring high LMD temperatures and chemical etching. Together LMD and VPD have greatly expanded the scope of dealloying techniques, limited by traditional electrochemical means to noble metals, and boosted the design of new functional and structural materials that combine a wide variety of elements. Topologically-connected open porous structures with ultra-high surface area allow mass transport within the structure while preserving structural integrity, enabling them to serve as catalysts, fuel cells, supercapacitors, or high-capacity battery materials. Bicontinuous composite structures in turn can display high strength and high ductility or superior radiation-damage resistance due to the ultra-high interface area between interpenetrating solid phases. This research program makes use of state-of-the-art computational methods to understand at a basic level the self-organizing dealloying process with main focus on dealloying kinetics and interfacial pattern formation at the dealloying front controlling initial structure size, topology, and phase compositions. Phase-field simulation studies of LMD focus on solid solutions, line compounds, and intermetallic systems that can form ternary composites by nucleation and growth of a new phase. Studies of VPD employ phase-field modeling and a hybrid method combining a kinetic Monte Carlo (KMC) model of evaporation and surface diffusion with molecular dynamics for vapor-phase transport inside nanopores. Simulations explore mechanisms of interface- and diffusion-controlled dealloying kinetics, both observed in VPD but not fundamentally understood. In addition, our newly developed multi-physics phase-field approach of large-volume-change phase transformations is being used to model novel 3D anode geometries based on dealloyed nanoporous structures including novel sandwiched graphene/Si/silica for highrate Li ion battery. Those studies are aimed at elucidating geometric design principles that improve mechanical stability. We expect this research to enhance the capability to tailor nano-/mesoscale structures for a wide range of energy-related materials applications and to yield further advances in computational methodologies that benefit a broad materials research community.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2022

Material processing, microstructure, and composite properties of low carbon Engineered Cementitious Composites (ECC)

Traditional PVA fiber-reinforced Engineered Cementitious Composites (ECC) show high tensile ductility and superior durability with tight crack width, but the high cost and embodied carbon can hinder its wider application in infrastructures. The objective of this study is to develop a better understanding of the fresh and hardened properties of an ECC that employs a lower embodied-carbon binder, Limestone Calcined Clay Cement (LC3), and lower-cost PP fiber that is widely available. Specifically, the interrelations between material processing, microstructure, and composite properties were studied experimentally. The results showed that ECC with high tensile ductility up to 9% tensile strain and tight crack width with 50 μm at 2% tensile strain can be achieved. It was found that a matrix paste with higher viscosity generally enhanced fiber dispersion uniformity and robustness in tensile strain-hardening. The paste viscosity is increased when OPC is replaced by LC3 and can be tuned with superplasticizer content. Larger maximum flaw size leads to lower first crack strength, beneficial for microcrack initiation and multiple cracking. This study generates fundamental knowledge linking processing-microstructure-performance of PP-LC3-ECC. This class of low embodied carbon ECC with tight crack width is expected to contribute to reducing the carbon footprint of the built environment.

36 MATERIALS SCIENCE↗

NASA NTRS1991

Development and mechanical properties of structural materials from lunar simulant

Development of versatile engineering materials from locally available materials in space is an important step toward establishment of outposts such as on the moon and Mars. Here development of the technologies for manufacture of structural and construction materials on the moon, utilizing local lunar soil (regolith), without the use of water, is an important element for habitats and explorations in space. It is also vital that the mechanical behavior such as strength and flexural properties, fracture toughness, ductility, and deformation characteristics are defined toward establishment of the ranges of engineering applications of the materials developed. The objectives include two areas: (1) thermal liquefaction of lunar simulant (at about 1100 C) with different additives (fibers, powders, etc.); and (2) development and use of a traxial test device in which lunar simulants are first compacted under cycles of loading, and then tested with different vacuums and initial confining or insitu stress. The second area was described in previous progress reports and publications; since the presently available device allows vacuum levels up to only 10(exp -4) torr, it is recommended that a vacuum pump that can allow higher levels of vacuum is acquired.

Desai, Chandra S.↗

NASA NTRS1991

Development and mechanical properties of structural materials from lunar simulants

Development of the technologies for manufacture of structural and construction materials on the Moon, utilizing local lunar soil (regolith), without the use of water, is an important element for habitats and explorations in space. Here, it is vital that the mechanical behavior such as strength and flexural properties, fracture toughness, ductility and deformation characteristics be defined toward establishment of the ranges of engineering applications of the materials developed. The objective is to describe the research results in two areas for the above goal: (1) liquefaction of lunar simulant (at about 100 C) with different additives (fibers, powders, etc.); and (2) development and use of a new triaxial test device in which lunar simulants are first compressed under cycles of loading, and then tested with different vacuums and initial confining or in situ stress.

Desai, Chandra S.↗

NASA NTRS1992

Development and mechanical properties of construction materials from lunar simulant

Development of versatile engineering materials from locally available materials in space is an important step toward the establishment of outposts on the Moon and Mars. Development of the technologies for manufacture of structural and construction materials on the Moon, utilizing local lunar soil (regolith), without the use of water, is an important element for habitats and explorations in space. It is also vital that the mechanical behavior such as strength and tensile, flexural properties, fracture toughness, ductility, and deformation characteristics are defined toward establishment of the ranges of engineering applications of the materials developed. The objectives include two areas: (1) thermal 'liquefaction' of lunar simulant (at about 1100 C) with different additives (fibers, powders, etc.), and (2) development and use of a new triaxial test device in which lunar simulants are first compacted under cycles of loading, and then tested with different vacuums and initial confining or in situ stress. Details of the development of intermediate ceramic composites (ICC) and testing for their flexural and compression characteristics were described in various reports and papers. The subject of behavior of compacted simulant under vacuum was described in previous progress reports and publications; since the presently available device allows vacuum levels up to only 10(exp -4) torr, it is recommended that a vacuum pump that can allow higher levels of vacuum be utilized for further investigation.

Desai, Chandra S.↗

DOE OSTI2020

Tensile properties of powder-metallurgical-processed tungsten alloys after neutron irradiation near recrystallization temperatures

The tensile properties of powder-metallurgical-processed Pure W, K-doped W, W-3%Re, and K-doped W-3%Re were examined after neutron irradiation up to 0.7 dpa at 910–1020 °C with a thermal neutron shield in the High Flux Isotope Reactor (HFIR). After irradiation, recrystallized Pure W (R) exhibited a brittle fracture mode, while recrystallized K-doped W-3%Re (R) exhibited a ductile fracture mode at 500 °C. K-doped W-3%Re (R) has fine grains, and hence, contains a considerable number of grain boundaries that act as sinks for irradiation defects. Solid solute Re in the W matrix could improve not only the mechanical properties of W, but also its resistance to neutron irradiation. At 500 °C, the ductility of K-doped W-3%Re after irradiation was significantly higher than that of Pure W. The irradiation at ~1000 °C did not induce hardening of stress-relieved (SR) W materials, but SR W materials tended to exhibit a decrease in the ultimate tensile strength (UTS) and an increase in total elongation (TE). Here, the softening due to the recovery and recrystallization of SR W materials and the hardening due to the formation of irradiation defect clusters were balanced during irradiation at ~1000 °C, and ductility was exhibited without an increase in strength.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Phase Transitions of Eutectic High Entropy Alloy AlCoCrFeNi 2.1 Under Shock Compression

High entropy alloys (HEAs) are a new class of metals that exhibit unique mechanical performance. Among HEAs, additively manufactured eutectic high entropy alloys (AM EHEAs) have recently emerged as candidate materials for use in extreme conditions due to their simultaneous high strength and ductility. However, the deformation and structural evolution of AM EHEAs under conditions of high pressure have not been well characterized, limiting their use in extreme applications. Dynamic compression experiments and molecular dynamics simulations are presented to study the structural evolution of AM EHEA AlCoCrFeNi 2.1 when compressed to pressures up to 400 GPa. In situ X-ray diffraction measurements capture the appearance of face-centered cubic and body-centered cubic phases at different pressure conditions, with pure- and mixed-phase regions. Furthermore, understanding the phase stability and structural evolution of the AM EHEA offers new insights to guide the development of high-performance complex materials for extreme conditions.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Phase-field modeling of orientation-dependent crack growth in ductile single crystals with anisotropic elasticity

Crack growth in ductile single crystals (DuSCs) is orientation dependent due to the anisotropies of crystal plasticity and elastic tensor. This study develops a phase-field model incorporating both crystal plasticity and crack growth and proposes a general method to decompose the elastic energy into compressive and tensile parts to prevent crack growth under compression in the phase-field description. The phase-field model, in combination with three Euler angles, is employed to simulate orientation-dependent crack growth in DuSCs. The contributions from crystal plasticity and anisotropic elasticity are compared, and the former is found to dominate in the anisotropy of crack growth in copper single crystals. Furthermore, the simulation results demonstrate that crystal orientation strongly affects the heterogeneous distribution of plastic strain and the interaction between plastic strain and crack growth. High-throughput phase-field simulations are performed with exhaustive crystal orientations, and the results are explained based on the anisotropy of the Taylor factor.

Computational Solid Mechanics↗

NASA NTRS1992

Composites of low-density trialuminides: Particulate and long fiber reinforcements

An examination of the ternary L1(sub 2) trialuminides, Al66Ti25Mn9, Al67Ti25Cr8, and Al22Ti8Fe3 in compression, bending, and tension revealed that none of these compounds exhibited a desirable balance of strength, ductility, and oxidation resistance. Subsequently, specific quaternary and quinary compositions were cast, homogenized, and isothermally forged. Both, the monolithic material and its particulate reinforced counterparts were examined in compression, three point bend, and tension as a function of temperature, and at high temperatures as a function of strain rate. An alternate approach that was examined in this program to enhance the low temperature damage tolerance of these materials was to incorporate long refractory metal wires in the matrix. In summary, it appears that of the various matrix compositions examined, ternary Al66Ti25Mn9 exhibits the best balance in strength, ductility, and oxidation resistance. Although the idea of refractory metal wire reinforcement is an attractive one, a successful combination remains to be identified.

Kumar, K. S.↗

DOE OSTI2023

A multi-length-scale investigation of the applicability of ductility laws for annealed and work-hardened copper

Small-scale mechanical testing provides unique advantages over conventional testing in investigating the mechanical response of nuclear materials. While small-scale testing enables accelerated materials research, it raises the question of comparability to large-scale properties for engineering design considerations. Among different mechanical properties for structural design considerations such as yield and ultimate tensile stress, ductility is of critical importance with respect to structural component health. The effectiveness of using small-scale mechanical testing for probing these mechanical properties is dictated by understanding how the mechanical responses translate from the microscale to the engineering scale. Therefore, a better understanding of size scaling effects via gathering and analysis of experimental data is required to bridge length-scales. Further, this work builds upon previous reports to provide statistical data on how mechanical response changes as the size of the specimens are reduced from conventional sizes. One hundred twenty mesoscale tensile coupons of oxygen-free high thermal conductivity (OFHC) copper in work-hardened and annealed state have been manufactured using micro-wire electrical discharge machining (EDM) and tested under uniaxial tension. The mesoscale specimens have dimensions dictated by pre-selected geometric ratios (i.e., gauge section length over the square root of the cross-section area) with gauge length dimensions of 3 mm (or less) and sub-millimeter gauge widths and thicknesses. The mesoscale responses were compared to bulkscale properties to reveal the effect of specimen size on the mechanical response as a function of grain size and material state for a single phase face-centered cubic metal.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Irradiation effects in tungsten—From surface effects to bulk mechanical properties

Advanced materials such as tungsten fibre-reinforced composites allow to overcome severe weaknesses of the baseline materials for plasma-facing components — copper and tungsten. The effect of the fusion environment on the mechanical properties of these materials, e.g. the embrittlement by neutron irradiation, plays a key role for the development of future fusion reactors. To simulate this effect, high-energy ions are used as a substitute for the displacement damage by neutrons. We propose the use of very fine tungsten wire as a possibility of studying the influence of irradiation damage on the mechanical properties. This is possible as they allow full-depth irradiation of almost the entire volume despite the limited penetration depth of ions. Geometrical size effects are mitigated due to the nanoscale microstructure of the wire. In addition, similar wire is used in tungsten fibre-reinforced composites. Thus, the investigation of irradiated wire can directly be used for the prediction of the bulk composite properties. For the proof of this concept tungsten wire with a diameter of 16 μm was electrochemically thinned to 5 μm and irradiated with 20.5 MeV W 6+ ions. The mechanical properties were subsequently determined by macroscopic tensile testing. Irradiation to 0.3, 1 and 9 dpa did not lead to a change of the mechanical behaviour. Both strength and ductility, the latter indicated by the reduction of area, were similar to the as-fabricated state.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Adversarial Ensemble Modeling of Multi-modal Mechanical Properties for Iron-Based Alloys

Mechanical properties of alloys are controlled by their microstructure; and microstructure evolution is controlled by internal and external stressors. Chemical complexity during the alloy processing may result in heterogeneity and observation of multimodal performance patterns. Thus, to ensure the desired performance of stressed components it is important to understand the origin and mechanisms of such behavior. Adversarial ensemble modeling was introduced here to explain multimodal mechanical properties of the iron-based alloys. The modeling results showed that the areas of a single mechanism predominance were contiguous across the alloy compositions clustered by similarity, with sharp and persistent boundaries separating the single-mechanism domains. The marginal compositions resulted in increased competition between the adversarial models but only led to the multimodal behavior when the competing models diverged. Transparency of the clustering method allowed explicit interpretation of the chemistries leading to such competition. The adversarial ensemble was interpreted through transition from ductile to brittle microstructure.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Size-dependent stochastic tensile properties in additively manufactured 316L stainless steel

Recent work in metal additive manufacturing (AM) suggests that mechanical properties may vary with feature size; however, these studies do not provide a statistically robust description of this phenomenon, nor do they provide a clear causal mechanism. Because of the huge design freedom afforded by 3D printing, AM parts typically contain a range of feature sizes, with particular interest in smaller features, so the size effect must be well understood in order to make informed design decisions. This work investigates the effect of feature size on the stochastic mechanical performance of laser powder bed fusion tensile specimens. A high-throughput tensile testing method was used to characterize the effect of specimen size on strength, elastic modulus and elongation in a statistically meaningful way. The effective yield strength, ultimate tensile strength and modulus decreased strongly with decreasing specimen size: all three properties were reduced by nearly a factor of two as feature dimensions were scaled down from 6.25 mm to 0.4 mm. Hardness and microstructural observations indicate that this size dependence was not due to an intrinsic change in material properties, but instead the effects of surface roughness on the geometry of the specimens. Finite element analysis using explicit representations of surface topography shows the critical role surface features play in creating stress concentrations that trigger deformation and subsequent fracture. The experimental and finite element results provide the tools needed to make corrections in the design process to more accurately predict the performance of AM components.

316L stainless steel↗

NASA NTRS1978

The effect of microstructure on hydrogen embrittlement of the nickel-base superalloy, Udimet 700

Material from a single heat of cast and wrought Udimet 700 was processed and/or heat treated to produce five material conditions with identical chemical compositions but with distinct microstructural variations, and then evaluated for susceptibility to hydrogen embrittlement. Two prealloyed powder conditions exhibited significantly improved resistance to hydrogen embrittlement, as compared to wrought material. No degradation in notch or smooth tensile strengths occurred, and average ductilities of 25 percent reduction of area were determined for 2 hydrogen evaluation procedures. For the most severe hydrogenation procedure, ductility levels were reduced to 15 percent. These improvements were attributed to cleaner grain boundaries and decreases grain size.

Gray, H. R.↗

NASA NTRS1978

The effect of microstructure on hydrogen embrittlement of the nickel base superalloy, Udimet 700

Gray, H. R.↗

NASA NTRS1991

HP9-4-.30 weld properties and microstructure

HP9-4-.30, ultra high strength steel, the case material for the Advanced Solid Rocket Motor (ASRM), must exhibit acceptable strength, ductility, toughness, and stress corrosion cracking (SCC) resistance after welding and a local post weld heat treatment (PWHT). Testing, to date, shows that the base metal (BM) properties are more than adequate for the anticipated launch loads. Tensile tests of test specimens taken transverse to the weld show that the weld metal overmatches the BM even in the PWHT condition. However, that is still some question about the toughness and SCC resistance of the weld metal in the as welded and post weld heat treated condition. To help clarify the as welded and post weld heat treated mechanical behavior of the alloy, subsize tensile specimens from the BM, the fusion zone (FZ) with and without PWHT, and the heat affected zone (HAZ) with and without PWHT were tested to failure and the fracture surfaces subsequently examined with a scanning electron microscope. Results are given and briefly discussed.

Watt, George W.↗

NASA NTRS1994

Craters in aluminum 1100 targets using glass projectiles at 1-7 km/s

We report on impact experiments using soda-lime glass spheres of 3.2 mm diameter and aluminum targets (1100 series). The purpose is to assist in the interpretation of LDEF instruments and in the development of future cosmic-dust collectors in low-Earth orbit. Because such instruments demand understanding of both the cratering and penetration process, we typically employ targets with thicknesses that range from massive, infinite half-space targets, to ultrathin films. This report addresses a subset of cratering experiments that were conducted to fine-tune our understanding of crater morphology as a function of impact velocity. Also, little empirical insight exists about the physical distribution and shock-metamorphism of the impactor residues as a function of encounter speed, despite their recognized significance in the analysis of space-exposed surfaces. Soda-lime glass spheres were chosen as a reasonable analog to extraterrestrial silicates, and aluminum 1100 was chosen for targets, which among the common Al-alloys, best represents the physical properties of high-purity aluminum. These materials complement existing impact studies that typically employed metallic impactors and less ductile Al-alloys. We have completed dimensional analyses of the resulting craters and are in the process of investigating the detailed distribution of the unmelted and melted impactor residues via SEM methods, as well as potential compositional modifications of the projectile melts via electron microprobe.

Bernhard, R. P.↗

DOE OSTI2023

Process-structure-property considerations for wire-based directed energy deposition of Ti-6Al-4V

Directed energy deposition (DED) is an attractive additive manufacturing (AM) process for large structural components. The rapid solidification and layer-by-layer process associated with DED results in non-ideal microstructures, such as large grains with strong crystallographic textures. These non-ideal microstructures can lead to severe anisotropy in the mechanical properties. Despite these challenges, DED has been identified as a potential solution for the manufacturing of near net shape Ti-6Al-4V preforms, replacing lost casting and forging capabilities. Two popular wire-based directed energy deposition (W-DED) processes were considered for the manufacturing of Ti-6Al-4V with assessments on their respective metallurgical and mechanical properties, as compared to a conventionally processed material. The two W-DED processes explored were wire arc additive manufacturing (WAAM) and electron beam additive manufacturing (EBAM). High throughput inspection and tensile testing procedures were utilized to generate statistically relevant data sets related to each process and sample orientation. The 2 AM technologies produced material with remarkably different microstructures and mechanical properties. Importantly, results revealed key differences in strength and ductility for the two disparate processes which were found to be related to differences in the metallurgical properties.

36 MATERIALS SCIENCE↗