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At least 1,027 records · Page 57

Metal additive manufacturing simulation across length, time, and computing scales

Metal additive manufacturing (AM) offers a unique opportunity for production of advanced materials and complex geometries. However, variability in microstructure and properties challenges conventional approaches to design, process optimization, qualification, and materials selection. Modeling and simulation can improve understanding of AM processing and materials, but also poses major challenges for existing computational methods. Simultaneously, modern scientific computing hardware has become increasingly complex, most notably with the adoption of hybrid architectures such as Graphical Processing Units (GPUs). If appropriately utilized, emerging computational capabilities provide an opportunity to reveal new insight into AM processing and the resulting material structure and properties. In this review we describe the computational AM landscape, identify critical gaps, and highlight opportunities to impact the development and application of AM. First, the requirements and challenges of representative AM problem statements will be defined. Here, these problems range from scientific studies to industrial applications and are designed to capture the breadth of challenges facing the AM community. Next, the current state of AM modeling and simulation is evaluated, broken down by enabling hardware and software, process simulation, microstructure simulation, and property simulation. Each section describes the diversity of simulation approaches and associated trade-offs in physical fidelity and computational expense. Each area is then assessed based on their suitability and readiness for current and developing computational architectures. Lastly, the greatest opportunities for future research and application are highlighted, including gaps in modeling capabilities, opportunities for near-term application, and key scientific challenges.

additive manufacturing↗

Nano-phase formation accompanying phase separation in undercooled CoCrCuFeNi-3 at.% Sn high entropy alloy

Highlights: • Undercooled multi-component CoCrCuFeNi-3 at.% Sn high-entropy alloy was studied. • Accompanying phase separation, the nano-precipitates were detected. • The effect of Sn on the microstructures and properties was clarified. • The microhardness increased markedly with the increase of undercooling. - Abstract: Highly undercooled multi-component CoCrCuFeNi-3 at.% Sn high-entropy alloy was studied by adopting molten glass purification combined with cycle superheating methods. Based on the critical undercooling ΔT{sup ⁎}, the characteristic of liquid-phase separation was researched at different undercoolings. Accompanying phase separation, two phases (CoCrFeNi-rich and CuNi-rich) and three kinds of nano-precipitates (CrCo-rich, CrSn-rich and Sn-rich nano-precipitates) were detected. The microhardness of undercooled CoCrCuFeNi-3 at.% Sn high-entropy alloys increased markedly with the increase of undercooling. The effect of Sn on the microstructure evolution and properties in the process of phase separation was clarified with the aid of nano-precipitates.

36 MATERIALS SCIENCE↗

The influence of microstructure on the tensile behavior of an aluminum metal matrix composite

The relationship between tensile properties and microstructure of a powder metallurgy aluminum alloy, 2009 was examined. The alloy was investigated both unreinforced and reinforced with 15 v/o SiC whiskers or 15 v/o SiC particulate to form a discontinuous metal matrix composite (MMC). The materials were investigated in the as-fabricated condition and in three different hot-rolled sheet thicknesses of 6.35, 3.18, and 1.8 mm. Image analysis was used to characterize the morphology of the reinforcements and their distributions within the matrix alloy. Fractographic examinations revealed that failure was associated with the presence of microstructural inhomogeneities which were related to both the matrix alloy and to the reinforcement. The results from these observations together with the matrix tensile data were used to predict the strengths and moduli of the MMC's using relatively simple models. The whisker MMC could be modeled as a short fiber composite and an attempt was made to model the particulate MMC as a dispersion/dislocation hardened alloy.

Birt, Michael J.↗

Effects of the Electron Beam Welding Process on the Microstructure, Tensile, Fatigue and Fracture Properties of Nickel Alloy Nimonic 80A

The purpose of this study was to evaluate rotary bending high-cycle fatigue properties and crack growth of Nimonic 80A-based metal and electron beam-welded joints. All the tests were performed at room temperature. Fracture surfaces under high-cycle fatigue and fatigue crack growth were observed by scanning electron microscopy. Microstructure, hardness and tensile properties were also evaluated in order to understand the effects on the fatigue results obtained. It was found that the tensile properties, hardness and high-cycle fatigue properties of the welded joint are lower than the base metal. The fracture surface of the high-cycle fatigue shows that fatigue crack initiated from the surface under the high stress amplitude and from the subsurface under the low stress amplitude. The effect of the welding process on the statistical fatigue data was studied with a special focus on probabilistic life prediction and probabilistic lifetime limits. The fatigue crack growth rate versus stress intensity factor range data were obtained from the fatigue crack growth tests. From the results, it was evident that the fatigue crack growth rates of the welded are higher than the base metal. The mechanisms and fracture modes of fatigue crack growth of welded specimens were found to be related to the stress intensity factor range ΔK. In addition, the effective fatigue crack propagation thresholds and mismatch of welded joints were described and discussed.

36 MATERIALS SCIENCE↗

Feature Based Qualification of 17-4PH Stainless Steel to Evaluate Location-Specific Variability in Wire Arc Additive Manufacturing

Qualifying large-scale metal additive manufacturing (M-AM) technologies such as wire arc additive manufacturing (WAAM) can be challenging. This is especially significant in precipitation hardened martensitic stainless steels like SS 17-4PH, where thermal histories induce location-specific microstructural variability and property anisotropy. The Department of Defense (DOD) and the United States Army Combat Capabilities Development Command Ground Vehicle Systems Center (GVSC) Ground Vehicle Materials Engineering (GVME) aim to build robust and qualified large-scale M-AM workflows that could reduce the time and cost through quick and informed evaluation, testing, and development of feedstock, processes, and parts. The report presents the findings from the collaborative efforts between Oak Ridge National Laboratory (ORNL) and the U.S. Army GVSC GVME. The aim of this project was to develop a geometric feature-based qualification framework for WAAM of SS 17-4PH components. This report outlines selection methodology of representative build geometries, optimization of WAAM process parameters, in-situ monitoring, microstructure-property evaluation, thermal simulations, as well as data visualization techniques incorporated in this project. The results from this project demonstrate a clear understanding of thermal history dependent phase evolution and consequent location-specific property variations in WAAM of SS 17-4PH. These results in conjunction with the data-driven methodologies used in this project are expected to reduce qualification timelines, improve predictability, and accelerate the development of reliable feature-based qualification strategies for part production via large-scale M-AM technologies.

36 MATERIALS SCIENCE↗

Solvent effects on the heterogeneous growth of TiO 2 nanostructure arrays by solvothermal synthesis

One-dimensional titanium dioxide (TiO 2 ) nanostructure arrays (nanoarrays) are important metal oxide nanomaterials that can be synthesized via facile solvothermal methods. The properties of the organic solvents can impose significant effects on the microstructures and properties of the final products. However, the discussions were limited to the homogeneously nucleated TiO 2 nanomaterials in free-standing powder form, while the solvent effects are less understood during the heterogeneous growth of TiO 2 nanoarrays on a substrate surface. In this work, six organic compounds, namely 2-butanone, n-decane, n-hexane, toluene, ethylene glycol and ethanol, were selected as the solvents for the solvothermal synthesis of TiO 2 nanoarrays on the cordierite monolithic substrates. Special attentions are paid to the morphology, crystallinity, specific surface area, and porosity of the samples. The heterogeneous growth of TiO 2 nanoarrays on substrate surfaces is found to favor the solvents with moderate dielectric constants, which can be partially dissolved in the aqueous solution and modulate the reaction rate during the solvothermal synthesis. Organic solvents with low dielectric constants may result in a complete separation between the precursors and aqueous solution, and therefore slow down the overall reaction, causing the insufficient growth of the nanoarrays. The TiO 2 nanoarrays are obtained with optimum morphology from the combination of 2-butanone and titanium (IV) butoxide as solvent and precusor, respectively, with a high specific surface area up to 56 m 2 /g including cordierite substrate given a micron thickness. When loaded with Pt catalyst, the TiO 2 nanoarray-based monolithic catalysts show excellent low-temperature catalytic activity and hydrothermal stability for the CO and hydrocarbon oxidation under the simulated exhausted conditions. This article shall shed light on a better understanding of the growth mechanism and rational design of TiO 2 nanoarrays for high-performance catalytic converters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Reduction of chromium in Ni-base superalloys through element substitution and rapid solidification processing

The reduction in the use of Cr in Ni base superalloys by the combined approaches of both elemental substitution and rapid solidification processing is studied. The elements Si, Zr, Y and Hf were chosen as potential partial substitutes for Cr in Waspaloy and IN 713LC sine their separate addition to other alloys has previously resulted in enhanced oxidation resistance. The roles of Cr and these replacement elements in determining the microstructure and properties are evaluated. The elements Si, Zr, and Y and Hf are used as partial replacements for Cr in the base superalloys and these resultant alloys are processed using rapid solidification techniques. The mechanical properties and oxidation resistance of the processed materials are evaluated. The microstructure is characterized using state of the art techniques (e.g. analytical transmission electron microscopy), and the mechanism by which these structures are produced is determined.

Fraser, H. D.↗

The NBS: Processing/Microstructure/Property Relationships in 2024 Aluminum Alloy Plates

As received plates of 2024 aluminum alloy were examined. Topics covered include: solidification segregation studies; microsegregation and macrosegregation in laboratory and commercially cast ingots; C-curves and nondestructive evaluation; time-temperature precipitation diagrams and the relationships between mechanical properties and NDE measurements; transmission electron microscopy studies; the relationship between microstructure and properties; ultrasonic characterization; eddy-current conductivity characterization; the study of aging process by means of dynamic eddy current measurements; and Heat flow-property predictions, property degradations due to improve quench from the solution heat treatment temperature.

Ives, L. K.↗

Structure and Properties of Boron-Doped LiNbO{sub 3} Single Crystals

We have studied the macro-and microstructure and properties of LiNbO{sub 3}〈B〉 crystals in comparison with LiNbO{sub 3}〈Zn〉 and stoichiometric and congruent lithium niobate crystals. The optical characteristics of the LiNbO{sub 3}〈B〉 crystals have been shown to approach those of the stoichiometric LiNbO{sub 3} and LiNbO{sub 3}〈Zn〉 crystals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Advanced Characterization of Irradiated Fuels and Materials at INL

Advanced characterization of the irradiated fuels and materials is crucial to help understanding the material and fuel property changes under irradiation. Microstructural defect evolution down to nanometer scale could strongly affect the material and fuel performance on macroscale. Radiation-induced material degradation include dimensional instability, hardening and embrittlement, intergranular cracking, radiation-enhanced chemical interaction at the interfaces and breakaway swelling. To mitigate the radiation damage, advanced characterization on irradiated microstructure, microchemistry, micromechanical property and local thermal property is necessary to identify the controlling mechanisms that are responsible to the degradations. This presentation provides a summary of the advanced characterization capabilities at the Irradiation Materials Characterization Laboratory (IMCL), Materials and Fuels Complex (MFC), Idaho National Laboratory (INL). It highlights the recently established capabilities including shield sample preparation area (SSPA), shield confinement cells for two focused ion beam (FIB) systems, a shielded electron probe microanalysis (EPMA), the thermal property microscopy (TPM) along with non-shielded instruments like scanning electron microscopy (SEM), X-ray diffractometer, and transmission electron microscopy (TEM). Some examples on advanced characterizations on irradiated structural materials and fuels will be presented. It demonstrates the power of combining sample preparation of highly radioactive materials with the advanced characterization down to atomic resolutions within one facility.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

High-throughput simulations for insight into grain boundary structure-property relationships and other complex microstructural phenomena

High-throughput simulations can be a powerful tool in the discovery of new materials and behaviors. As part of a special issue on Rising Stars in Computational Materials Science, this paper uses the work of the author to show how high-throughput simulations have had an impact in grain boundary structure-property relationships and other complex microstructural phenomena. The work demonstrates how new tools designed to analyze large datasets produced by high-throughput simulations are enabling comprehensive grain boundary structure-property relationships to be obtained. High-throughput simulations are also used to demonstrate the impact descriptive and inferential statistics has had in extracting key aspects of deformation in metallic glasses. Finally, several different examples are used to show a balanced approach between simulations designed to survey and simulations designed for detailed analysis. Together, the two approaches provide a comprehensive picture of the variety of behaviors that exist, while ensuring that the physics underlying the behaviors are thoroughly understood.

36 MATERIALS SCIENCE↗

Correlation between structural and mechanical properties of RF magnetron sputter deposited hydroxyapatite coating

Highlights: • Microstructure and mechanical properties of textured hydroxyapatite (HA) coatings were evaluated. • TEM results revealed two types of coating microstructure corresponding to the film texture. • Elastic performance of the coating was determined by the texture of the HA coating. • HA coating with (300) texture showed larger elastic recovery. - Abstract: In the present study hydroxyapatite (HA) thin films with a,b-plain and c-plain preferential orientation were prepared by means of RF-magnetron sputtering with water vapor addition into a working gas atmosphere to investigate the influence of microstructural features on mechanical performance of the coating at nanoscale. The mechanical properties of the HA coatings textured along a,b- and c-axes by nanoindentation conclusively highlight that elastic modulus, H/E ratio, H{sup 3}/E{sup 2} parameter and percent of elastic recovery are determined by preferential orientation of the film. Nanoindentation reveals that the HA films exhibiting (300) texture possess commensurate nanohardness and lower elastic modulus compared to (002) oriented films, indicating that the former films possess higher resistance to cracking. The (002) and (300) textured coatings exhibited a nanohardness of 4.7 ± 2.0 GPa and 4.4 ± 2.2 GPa, respectively. The elastic modulus of the HA film with (300) and (002) preferential orientation was 75 ± 40 GPa and 103 ± 40 GPa, respectively. The HA coating with (300) texture showed a higher percentage of elastic recovery of 92% within unloading than that of the (002) textured film (69%).

36 MATERIALS SCIENCE↗

Microstructure Quantification and Random Forest Regression Models for Li4Ti5O12–Ni Property Prediction

All-solid-state structural lithium-ion batteries are sought to enable all-electric propulsion in next generation aerospace concepts through improved safety and systems level weight savings. In this work, the influence of processing conditions on microstructural evolution was evaluated for anode composites of strain-free Li4Ti5O12 and metallic nickel current collector. Beyond size distributions, this study explored methods of quantifying microstructural features that describe changes in the spatial distribution and coalescence of nickel particles as a function of sample composition and sintering conditions. Processing-microstructure-property relationships were described by microstructure quantifiers including nickel particle count per area, nearest neighbor distance distribution, and edge-to-edge distance distribution. Machine learning methods were applied to compare the relative influence of processing conditions and microstructural features on electrical conductivity and mechanical strength to optimize for simultaneous energy storage and load bearing performance. Insights gained from this work inform future evaluation of alternative energy storage materials and microstructures for multifunctional performance, and generation of microstructural descriptors strengthens modeling across length scales.

anode↗

Peculiar Features of Thermal Aging and Degradation of Rapidly Quenched Stainless Steels under High-Temperature Exposures

This article presents the results of comparative studies of mechanical properties and microstructure of nuclear fuel tubes and semifinished stainless steel items fabricated by consolidation of rapidly quenched powders and by conventional technology after high-temperature exposures at 600 and 700°C. Tensile tests of nuclear fuel tube ring specimens of stainless austenitic steel of grade AISI 316 and ferritic–martensitic steel are performed at room temperature. The microstructure and distribution of carbon and boron are analyzed by metallography and autoradiography in nuclear fuel tubes and semifinished items. Rapidly quenched powders of the considered steels are obtained by the plasma rotating electrode process. Positive influence of consolidation of rapidly quenched powders on mechanical properties after high-temperature aging is confirmed. The correlation between homogeneous distribution of carbon and boron and mechanical properties of the considered steel is determined. The effects of thermal aging and degradation of the considered steels are determined at 600°C and 700°C, respectively.

36 MATERIALS SCIENCE↗

Structural and Magnetic Characteristics of Ferroxplana Co{sub 2}Y Nanoferrites Synthesized via Two Chemical Routes

Barium Y-type hexaferrite Ba{sub 2}Co{sub 2}Fe{sub 12}O{sub 22} nanopowders have been purposefully tailored using two different chemical wet methods, namely sol-gel auto-combustion (SGA) and co-precipitation (CP) routes. The impact of the pre-annealing and the annealing temperature of the formed precursors synthesized using two strategies on the structural, microstructure, and magnetic properties was investigated using x-ray diffraction (XRD), scanning electron microscopic (SEM), Fourier transform infrared spectroscopy (FT-IR), and vibrating sample magnetometer (VSM). For instance, well-defined Ba{sub 2}Co{sub 2}Fe{sub 12}O{sub 22} hexagonal plate-like particles was observed using SGA and CP routes for the precursors pre-annealed at 600 {sup ∘}C for 4 h and then annealed at low temperature 1000 {sup ∘}C for 2 h. The magnetic properties measured at room temperature evinced that hexaferrite Co{sub 2}Y particles have ferromagnetic characteristics. Good magnetic properties involving saturation magnetization (M{sub s}) of 23.64 and 24.37 emu/g and the coercivity (H{sub c}) of 417.76 and 280.92 Oe were accomplished for the samples pre-annealed at 600 {sup ∘}C for 4 h and then annealed at 1000 {sup ∘}C for 2 h for SGA and CP methods, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Additive Manufacturing of Metallic Materials: A Review

In this review article, the latest developments of the four most common additive manufacturing methods for metallic materials are reviewed, including powder bed fusion, direct energy deposition, binder jetting, and sheet lamination. In addition to the process principles, the microstructures and mechanical properties of AM-fabricated parts are comprehensively compared and evaluated. Finally, several future research directions are suggested.

36 MATERIALS SCIENCE↗

Predictive design of novel nickel-based superalloys beyond Haynes 282

Nickel-based superalloys are in great demand for harsh-service conditions involving high temperatures and oxidative environments. Haynes 282 stands out due to its excellent high-temperature properties and easy fabricability. However, the upper operation temperature of Haynes 282 is limited due to its relatively low liquidus temperature. Equipped with high-fidelity density-functional theory calculations and high-throughput experimentation methodology, we explored new compositional spaces that exhibit higher liquidus temperature and higher strength. While maintaining the manufacturability, the newly designed alloy shows improved strength and ductility at room temperature and better oxidation resistance up to 800°C. Here, the new compositions showcase a minor change in the refractory and metalloid content can significantly impact the mechanical and oxidation performance of superalloys.

36 MATERIALS SCIENCE↗

Evolution of the role of molybdenum in duplex stainless steels during thermal aging: From enhancing spinodal decomposition to forming heterogeneous precipitates

Thermal aging of ferrite in duplex stainless steels leads to a complex microstructural evolution that can give way to large deleterious changes in mechanical properties. The microstructural evolution mechanisms that happen concurrently are strongly linked to minor changes in composition. By characterizing duplex stainless steels with various compositions over a range of aging conditions, it was revealed that adding a modest amount of Mo to cast austenitic stainless steel (such as changing from grade CF3 to grade CF3M) not only increases the kinetics of spinodal decomposition and Ni-Si-Mn-rich G-phase precipitation, but it also forms a separate Mo-rich phase. At shorter equivalent aging times, Mo segregates from Fe and towards Cr accelerating spinodal decomposition. At longer aging times, Mo enriches in the Ni-Si-Mn clusters before phase separating into an adjoined Mo-rich cluster. We found that these phase changes and precipitation events result in a rather steep drop in fracture and impact toughness. These results will inform the design of similar alloys for use at high temperatures.

36 MATERIALS SCIENCE↗