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At least 685 records · Page 38

Ductility enhancement from interface dislocation sources in a directionally solidified beta + gamma + gamma-prime Ni-Fe-Al composite alloy

A directionally solidified beta + gamma + gamma-prime Ni-Fe-Al in situ composite alloy of composition Ni50Fe30Al20 has been used to investigate the effect of a plastically soft second phase on the mechanical behavior of a B2 ordered intermetallic alloy. This material exhibits extensive plasticity during compressive deformation at room temperature and fails in shear with extensive gamma + gamma-prime lamellar or rod pullout. The material also exhibits about 10 percent tensile elongation to fracture at room temperature, with final fracture that includes substantial necking of the gamma + gamma-prime lamellae or rods. Observation of slip lines and dislocation substructures discloses that the normally brittle beta matrix undergoes extensive plasticity in order to deform compatibly with the more ductile gamma phase. The plasticity of the beta matrix is accomplished by the generation of glissile dislocations into the beta matrix from the beta/gamma interface region and is enhanced because of a favorable beta-gamma orientation relationship for slip transfer. Ductility enhancement from interface-generated mobile dislocations generated from beta-gamma interfaces is compared to that observed in film-coated beta-NiAl single crystals and FeAl polycrystals.

Larsen, M.↗

Solute effects upon dislocation motion and recovery in Mg alloys (Final Report)

The objective the research was to develop a firmer understanding of the interactions between substitutional solute atoms and dislocations within Mg alloys. These interactions govern the absolute and relative mobilities of various types of dislocations in Mg (e.g., basal < a>, non-basal < a>, and pyramidal < c+a>). Furthermore, they have an impact on dislocation recovery processes (e.g., cross-glide, climb, rearrangement, and annihilation). Ultimately, solute-dislocation interactions strongly impact a) strain hardening, b) strain rate sensitivity, c) plastic anisotropy of textured polycrystals, d) texture evolution, e) dislocation substructures evolution, and even f) recrystallization behavior. It is broadly known that Mg alloys exhibit poor low temperature formability. Since formability is largely governed by properties (a) – (c) in this list, it is critical to develop a better understanding of solute-dislocation interactions, if one hopes to improve the situation. While the theory of static solute strengthening is well developed, especially for alloys with face centered cubic (FCC) crystal structures, there are outstanding questions related to applications to hexagonal close packed (HCP) crystal structures and dynamic strain aging (DSA) in materials of various structures. DSA has far-reaching implications for metal formability and, in the case of Mg alloys, appears to correlate with the so-called rare-earth (RE) texture which has been shown to benefit formability. The Portevin-Le Chatelier (PLC) effect, and associated negative strain rate sensitivity, occur at higher temperatures (>100℃) in Mg alloys as compared with similar Al alloys, even though they have similar melting points and solute diffusivities. Our preliminary research has shown that modern, physics-based models of DSA can be tuned to describe the behavior of Mg alloys if a rather higher activation enthalpy is assumed for cross-core diffusivity. While this partially explains the delay in DSA to higher temperatures, it is also hypothesized that this delay is due in part to the intrinsically more thermally activated (rate sensitive) nature of non-basal < a> dislocation motion which is required for macroscopic flow of Mg alloys, whereas octahedral slip in many FCC metals like aluminum is essentially athermal at room temperature. It was originally proposed to employ a combination of in-situ diffraction-based experimental characterization to validate existing theory. It was envisioned to perform in-situ transmission electron microscopy (TEM) to assess individual dislocation behavior and in-situ high-energy X-ray diffraction (HEXRD) techniques which were showing great promise for elucidating collective dislocation behavior, 2 including recovery, especially if the contributions to various forms of diffraction peak broadening (𝜂𝜂,𝜔𝜔,and 2𝜃𝜃) can be effectively integrated. Finally, it was envisioned to perform discrete dislocation dynamics (DDD) modeling approaches to aide in the interpretation of both TEM and HEXRD experiments. In the end, mechanical tests were performed on more complex Mg alloys which exhibited evidence of dynamic strain aging, and this led to the establishment of another project. Mechanical test data obtained at McMaster University served as the basis of an assessment of the applicability of Bazinski’s “stress equivalence” theory of solute strengthening to polycrystalline alloys of Mg. Although we did not succeed in applying the approach to Mg alloys, we did develop expertise with the HEXRD approach using a BCC, β-Ti alloy and demonstrated numerous new capabilities that may be applied to any polycrystalline material in collaboration with researchers at CHESS and around the world: (1) assessment of details of the elastoplastic transition (yielding) using a combination of HEXRD and full-field polycrystal plasticity modeling, (2) the first-ever experimental observation of strong stress rotation within the individual grains of a polycrystalline material, and (3) a comprehensive analysis of the grain-level dislocation density evolution based upon diffraction peak broadening along 𝜂𝜂,𝜔𝜔,and 2𝜃𝜃 directions. This final aspect allowed us to confirm that dislocations were gliding on multiple plane types and not restricted to {110} type planes, and it also provided clues as to why some grains were unloading during straining, with surprising implications for our understanding of the effects of geometrically necessary dislocations (GNDs). Finally, graduate student, Mohammed Shabana, developed a MATLAB code which confirmed the conclusions of Prof. Catalin Picu (Rensallear Polytechnic Institute, RPI) regarding the effect of solute-trapped, forest dislocations on the breaking stress of Lomer lock junctions in FCC metal alloys. He applied the same anisotropic line-tension model to a variety of dislocation junction configurations and found an inconsistency in the widely cited results of Dupuy and Fivel regarding the Hirth Lock, and he outlined an approach to extend these finding to HCP Mg alloys that we are still pursuing with discretionary fundings at UVA.

36 MATERIALS SCIENCE↗

Influence of mineral oil and additives on microhardness and surface chemistry of magnesium oxide (001) surface

X-ray photoelectron spectroscopy analyses and hardness experiments were conducted with cleaved magnesium oxide /001/ surfaces. The magnesium oxide bulk crystals were cleaved into specimens along the /001/ surface, and indentations were made on the cleaved surface in laboratory air, in nitrogen gas, or in degassed mineral oil with and without an additive while not exposing specimen surface to any other environment. The various additives examined contained sulfur, phosphorus, chlorine, or oleic acid. The sulfur-containing additive exhibited the highest hardness and smallest dislocation patterns evidencing plastic deformation; the chlorine-containing additive exhibited the lowest hardness and largest dislocation patterns evidencing plastic deformation. Hydrocarbon and chloride (MgCl2) films formed on the magnesium oxide surface. A chloride film was responsible for the lowest measured hardness.

Miyoshi, K.↗

Data-driven modeling of dislocation mobility from atomistics using physics-informed machine learning

Dislocation mobility, which dictates the response of dislocations to an applied stress, is a fundamental property of crystalline materials that governs the evolution of plastic deformation. Traditional approaches for deriving mobility laws rely on phenomenological models of the underlying physics, whose free parameters are in turn fitted to a small number of intuition-driven atomic scale simulations under varying conditions of temperature and stress. This tedious and time-consuming approach becomes particularly cumbersome for materials with complex dependencies on stress, temperature, and local environment, such as body-centered cubic crystals (BCC) metals and alloys. In this paper, we present a novel, uncertainty quantification-driven active learning paradigm for learning dislocation mobility laws from automated high-throughput large-scale molecular dynamics simulations, using Graph Neural Networks (GNN) with a physics-informed architecture. We demonstrate that this Physics-informed Graph Neural Network (PI-GNN) framework captures the underlying physics more accurately compared to existing phenomenological mobility laws in BCC metals.

36 MATERIALS SCIENCE↗

Evaluation of Student Outcomes in Materials Science and Technology

This paper specifies 14 benchmarks and exit standards for the introduction of Materials Science and Technology in a secondary school education. Included is the standard that students should be able to name an example of each category of technological materials including metals, glass/ceramics, polymers (plastics) and composites. Students should know that each type of solid material has specific properties that can be measured. Students will learn that all solid materials have either a long range crystalline structure or a short range amorphous structure (i.e., glassy). They should learn the choice of materials for a particular application depends on the properties of the material, and the properties of the material depends on its crystal structure and microstructure. The microstructure may be modified by the methods by which the material is processed; students should explain this by the example of sintering a ceramic body to reduce its porosity and increase its densification and strength. Students will receive exposure to the world of work, post secondary educational opportunities, and in general a learning that will lead to a technologically literate intelligent citizen.

Piippo, Steven↗

Structural stability of mechanically alloyed amorphous (FeCoNi) 70 Ti 10 B 20 under high-temperature and high-pressure

Nanostructured (FeCoNi) 70 Ti 10 B 20 (at%) alloy was synthesized by mechanical alloying from elemental powder mixture of Fe, Co, Ni, Ti and B using ball milling. The effect of ball milling time on the evolution of structure and morphology was investigated by X-ray diffraction, scanning and transmission electron microscopy and differential thermal analysis. It was observed that the formation of solid solution of (FeCoNi) 70 Ti 10 B 20 started from the very onset of the milling process. Crystallite size and lattice strains seemed to be leveled off after 20 h of milling with no further major changes. The milling process for longer periods introduced severe plastic deformations causing formation of amorphous phase of (FeCoNi) 70 Ti 10 B 20 . The amorphous alloy composition was confirmed by energy dispersive X-ray spectroscopy analysis that showed an excellent homogeneity of the alloying elements. The phase stability of the mechanically alloyed amorphous sample was further verified by employing high-temperature and high-pressure studies. The alloy samples heat-treated at 700 °C revealed crystallization of the amorphous phase. However, synchrotron-based high-pressure ambient temperature X-ray diffraction studies confirmed that the amorphous phase of the alloy remained stable up to the pressure of 30 GPa. Here, the 50 h milled sample after being annealed at 350 °C showed improvement in the soft magnetic properties of the alloy, which was due to the probable elimination of the residual stress in the amorphous phase of the alloy powders.

36 MATERIALS SCIENCE↗

New dynamic diamond anvil cell for time-resolved radial x-ray diffraction

The dynamic diamond anvil cell (dDAC) is a recently developed experimental platform that has shown promise for studying the behavior of materials at strain rates ranging from intermediate to quasi-static and shock compression regimes. Combining dDAC with time-resolved x-ray diffraction (XRD) in the radial geometry (i.e., with incident x-rays perpendicular to the axis of compression) enables the study of material properties such as strength, texture evolution, and deformation mechanisms. This work describes a radial XRD dDAC setup at beamline P02.2 (Extreme Conditions Beamline) at DESY’s PETRA III synchrotron. Time-resolved radial XRD data are collected for titanium, zirconium, and zircon samples, demonstrating the ability to study the strength and texture of materials at compression rates above 300 GPa/s. In addition, the simultaneous optical imaging of the DAC sample chamber is demonstrated. The ability to conduct simultaneous radial XRD and optical imaging provides the opportunity to characterize plastic strain and deviatoric strain rates in the DAC at intermediate rates, exploring the strength and deformation mechanisms of materials in this regime.

47 OTHER INSTRUMENTATION↗

Site and Structural Requirements for the Dehydra-Decyclization of Cyclic Ethers on ZrO2

In this study, we examined the site and structural requirements for the dehydra-decyclization of cyclic ethers, tetrahydrofuran, and tetrahydropyran to produce conjugated dienes over ZrO2-based catalysts, a reaction that could be an important step in the use of biomass-derived sugars as a starting material to produce monomers for the plastics industry. To help identify the active sites for this reaction, studies were conducted in which ZrO2 surfaces were decorated with Na. These studies showed that Na was effective at poisoning the activity for the ring opening of cyclic ethers, but much less so for the dehydration of the resulting adsorbed alkoxides. The studies of the activity of different types of ZrO2 for the dehydra-decyclization reaction, including single crystals and ultra-thin films supported on MgAl2O4 and silica, also showed that the reaction was dependent on the local structure of the ZrO2 surface. The insights these results provide for identifying the active sites on the ZrO2 surface are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA Tech Briefs, June 2013

Topics include: Cloud Absorption Radiometer Autonomous Navigation System - CANS, Software Method for Computed Tomography Cylinder Data Unwrapping, Re-slicing, and Analysis, Discrete Data Qualification System and Method Comprising Noise Series Fault Detection, Simple Laser Communications Terminal for Downlink from Earth Orbit at Rates Exceeding 10 Gb/s, Application Program Interface for the Orion Aerodynamics Database, Hyperspectral Imager-Tracker, Web Application Software for Ground Operations Planning Database (GOPDb) Management, Software Defined Radio with Parallelized Software Architecture, Compact Radar Transceiver with Included Calibration, Software Defined Radio with Parallelized Software Architecture, Phase Change Material Thermal Power Generator, The Thermal Hogan - A Means of Surviving the Lunar Night, Micromachined Active Magnetic Regenerator for Low-Temperature Magnetic Coolers, Nano-Ceramic Coated Plastics, Preparation of a Bimetal Using Mechanical Alloying for Environmental or Industrial Use, Phase Change Material for Temperature Control of Imager or Sounder on GOES Type Satellites in GEO, Dual-Compartment Inflatable Suitlock, Modular Connector Keying Concept, Genesis Ultrapure Water Megasonic Wafer Spin Cleaner, Piezoelectrically Initiated Pyrotechnic Igniter, Folding Elastic Thermal Surface - FETS, Multi-Pass Quadrupole Mass Analyzer, Lunar Sulfur Capture System, Environmental Qualification of a Single-Crystal Silicon Mirror for Spaceflight Use, Planar Superconducting Millimeter-Wave/Terahertz Channelizing Filter, Qualification of UHF Antenna for Extreme Martian Thermal Environments, Ensemble Eclipse: A Process for Prefab Development Environment for the Ensemble Project, ISS Live!, Space Operations Learning Center (SOLC) iPhone/iPad Application, Software to Compare NPP HDF5 Data Files, Planetary Data Systems (PDS) Imaging Node Atlas II, Automatic Calibration of an Airborne Imaging System to an Inertial Navigation Unit, Translating MAPGEN to ASPEN for MER, Support Routines for In Situ Image Processing, and Semi-Supervised Eigenbasis Novelty Detection.

Source record↗

Synthesis and characterization of biobased copolyesters based on pentanediol: (1) Poly(pentylene dodecanoate–co–furandicarboxylate)

A series of biobased aliphatic-aromatic copolyesters, poly(pentylene dodecanoate-co-furandicarboxylates) (PPeDFs) were synthesized via an esterification and polycondensation melt process. The copolyesters were characterized using gel permeation chromatography, Fourier transform infrared spectroscopy, 1 H NMR spectroscopy, differential scanning calorimetry, thermogravimetric analysis, wide angle x-ray scattering, and tensile testing. The thermal transition behavior was strongly dependent on composition, with the melting and glass transition temperatures reaching a minimum at approximately equimolar ratio of D to F. All copolyesters were stable below 300°C with their R 600 (the weight of material remaining at 600°C) values increasing with F fraction. PPeD to PPeDF30 (e.g., mole ratio D/F = 7:3) show sharp PPeD crystalline reflections only while broad PPeF reflections are shown in PPeF and PPeDF90. PPeDF40 to PPeDF80 showed both crystal structures. The fractional crystallinity for the PPeD was much higher than PPeF and the fractional crystallinity of the copolymers showed a minimum at D/F ratios closer to the latter. Here, the stress at break and modulus both exhibited maxima at D/F ratios that were either high or low, but somewhat surprisingly a strong maximum in percent elongation at break of over 600% occurs at PPeDF40. For this composition, a typical plastic behavior curve was found including a yield point, high elongation at break, and strain hardening.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography

Antibody 10E8 is capable of effectively neutralizing HIV through its recognition of the membrane-proximal external region (MPER), and a suitably optimized version of 10E8 might have utility in HIV therapy and prophylaxis. However, 10E8 displays a three-peak profile on size-exclusion chromatography (SEC), complicating its manufacture. Here we show cis-trans conformational isomerization of the Tyr-Pro-Pro (YPP) motif in the heavy chain 3rd complementarity-determining region (CDR H3) of antibody 10E8 to be the mechanistic basis of its multipeak behavior. We observed 10E8 to undergo slow conformational isomerization and delineate a mechanistic explanation for effective comodifiers that were able to resolve its SEC heterogeneity and to allow an evaluation of the critical quality attribute of aggregation. We determined crystal structures of single and double alanine mutants of a key di-proline motif and of a light chain variant, revealing alternative conformations of the CDR H3. We also replicated both multi-peak and delayed SEC behavior with MPER-antibodies 4E10 and VRC42, by introducing a Tyr-Pro (YP) motif into their CDR H3s. Our results show how a conformationally dynamic CDR H3 can provide the requisite structural plasticity needed for a highly hydrophobic paratope to recognize its membrane-proximal epitope.

60 APPLIED LIFE SCIENCES↗

Friction and wear of metals with a single-crystal abrasive grit of silicon carbide: Effect of shear strength of metal

Sliding friction experiments were conducted with spherical, single-crystal silicon carbide riders in contact with various metals and with metal riders in contact with silicon carbide flats. Results indicate that: (1) the friction force in the plowing of metal and (2) the groove height (corresponding to the volume of the groove) are related to the shear strength of the metal. That is, they decrease linearly as the shear strength of the bulk metal increases. Grooves are formed in metals primarily from plastic deformation, with occasional metal removal. The relation between the groove width D and the load W can be expressed by W = kD, superscript n which satisfies Meyer's law.

Miyoshi, K.↗

Real-time observations of TRIP-induced ultrahigh strain hardening in a dual-phase CrMnFeCoNi high-entropy alloy

Abstract Strategies involving metastable phases have been the basis of the design of numerous alloys, yet research on metastable high-entropy alloys is still in its infancy. In dual-phase high-entropy alloys, the combination of local chemical environments and loading-induced crystal structure changes suggests a relationship between deformation mechanisms and chemical atomic distribution, which we examine in here in a Cantor-like Cr 20 Mn 6 Fe 34 Co 34 Ni 6 alloy, comprising both face-centered cubic ( fcc ) and hexagonal closed packed ( hcp ) phases. We observe that partial dislocation activities result in stable three-dimensional stacking-fault networks. Additionally, the fraction of the stronger hcp phase progressively increases during plastic deformation by forming at the stacking-fault network boundaries in the fcc phase, serving as the major source of strain hardening. In this context, variations in local chemical composition promote a high density of Lomer-Cottrell locks, which facilitate the construction of the stacking-fault networks to provide nucleation sites for the hcp phase transformation.

36 MATERIALS SCIENCE↗

Surface property modification of silicon

The main emphasis of this work has been to determine the wear rate of silicon in fluid environments and the parameters that influence wear. Three tests were carried out on single crystal Czochralski silicon wafers: circular and linear multiple-scratch tests in fluids by a pyramidal diamond simulated fixed-particle abrasion; microhardness and three-point bend tests were used to determine the hardness and fracture toughness of abraded silicon and the extent of damage induced by abrasion. The wear rate of (100) and (111) n and p-type single crystal Cz silicon abraded by a pyramidal diamond in ethanol, methanol, acetone and de-ionized water was determined by measuring the cross-sectional areas of grooves of the circular and linear multiple-scratch tests. The wear rate depends on the loads on the diamond and is highest for ethanol and lowest for de-ionized water. The surface morphology of the grooves showed lateral and median cracks as well as a plastically deformed region. The hardness and fracture toughness are critical parameters that influence the wear rate. Microhardness tests were conducted to determine the hardness as influenced by fluids. Median cracks and the damage zone surrounding the indentations were also related to the fluid properties.

Danyluk, S.↗

Large Engine Technology (LET) Short Haul Civil Tiltrotor Contingency Power Materials Knowledge and Lifing Methodologies

This report documents the results of an experimental program conducted on two advanced metallic alloy systems (Rene' 142 directionally solidified alloy (DS) and Rene' N6 single crystal alloy) and the characterization of two distinct internal state variable inelastic constitutive models. The long term objective of the study was to develop a computational life prediction methodology that can integrate the obtained material data. A specialized test matrix for characterizing advanced unified viscoplastic models was specified and conducted. This matrix included strain controlled tensile tests with intermittent relaxtion test with 2 hr hold times, constant stress creep tests, stepped creep tests, mixed creep and plasticity tests, cyclic temperature creep tests and tests in which temperature overloads were present to simulate actual operation conditions for validation of the models. The selected internal state variable models where shown to be capable of representing the material behavior exhibited by the experimental results; however the program ended prior to final validation of the models.

Spring, Samuel D.↗

Wholly Aromatic Ether-Imides as n-Type Semiconductors

Some wholly aromatic ether-imides consisting of rod-shaped, relatively-low-mass molecules that can form liquid crystals have been investigated for potential utility as electron-donor-type (ntype) organic semiconductors. It is envisioned that after further research to improve understanding of their physical and chemical properties, compounds of this type would be used to make thin film semiconductor devices (e.g., photovoltaic cells and field-effect transistors) on flexible electronic-circuit substrates. This investigation was inspired by several prior developments: Poly(ether-imides) [PEIs] are a class of engineering plastics that have been used extensively in the form of films in a variety of electronic applications, including insulating layers, circuit boards, and low-permittivity coatings. Wholly aromatic PEIs containing naphthalene and perylene moieties have been shown to be useful as electrochromic polymers. More recently, low-molecular-weight imides comprising naphthalene-based molecules with terminal fluorinated tails were shown to be useful as n-type organic semiconductors in such devices as field-effect transistors and Schottky diodes. Poly(etherimide)s as structural resins have been extensively investigated at NASA Langley Research Center for over 30 years. More recently, the need for multi-functional materials has become increasingly important. This n-type semiconductor illustrates the scope of current work towards new families of PEIs that not only can be used as structural resins for carbon-fiber reinforced composites, but also can function as sensors. Such a multi-functional material would permit so-called in-situ health monitoring of composite structures during service. The work presented here demonstrates that parts of the PEI backbone can be used as an n-type semiconductor with such materials being sensitive to damage, temperature, stress, and pressure. In the near future, multi-functional or "smart" composite structures are envisioned to be able to communicate such important parameters to the flight crew and provide vital information with respect to the operational status of their aircraft.

Weiser, Erik↗

Friction behavior of silicon in contact with titanium, nickel, silver and copper

Sliding friction experiments are conducted with the semiconductor silicon in contact with the metals titanium, nickel, copper, and silver. Sliding is on the (111) plane of single-crystal silicon in the 112 crystallographic direction both in dry and lubricated (mineral oil) sliding. The friction coefficient in dry sliding is controlled by adhesion and the surface chemical activity of the metal. The more active the metal the stronger the adhesion and the higher the friction. In lubricated sliding the lubricant absorbs to the surfaces and reduces the importance of metal chemical effects. In lubricated sliding, silicon ceases to behave in a brittle manner and undergoes plastic deformation under load.

Mishina, H.↗

Tunable mechanical behavior of graphene nanoribbon-metal composites fabricated through an electrocharge-assisted process

This work investigates the role of a carbon nanophase on the local mechanical behavior of nanocarbon metal matrix composites (NCMCs) produced through an electrocharge-assisted process. Nanoindentation experiments on single crystal Al, Al 1350 parent alloys, and Al 1350 NCMCs revealed variable mechanical properties, caused by an interplay between microstructure and graphitic reinforcements. TEM and AFM studies also reveal nanoscale structural changes based on the incorporation of a carbon nanophase. In order to decouple the effects of the aforementioned mechanical behaviors, molecular dynamics nanoindentation simulations were performed on the (111) surface of Al and Al NCMC samples containing semi-infinite graphene nanoribbons to examine the evolution of plasticity over time. Findings indicate that the arrangement of a finite graphene nanophase within a host matrix can alter plasticity mechanisms and therefore yield strength in near-surface mechanical behavior with little effect on elastic properties. Here, this understanding enables further study into tunable bulk properties of Al-based NCMCs while isolating microstructural effects and reinforcement effects of the carbon phase. Such an understanding will lead to application-specific material geometries ranging from highperforming vehicle structures to next-generation electrical devices.

36 MATERIALS SCIENCE↗