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At least 1,639 records · Page 91

Modeling of Powder Bed Manufacturing Defects

Powder bed additive manufacturing offers unmatched capabilities. The deposition resolution achieved is extremely high enabling the production of innovative functional products and materials. Achieving the desired final quality is, however, hampered by many potential defects that have to be managed in due course of the manufacturing process. Defects observed in products manufactured via powder bed fusion have been studied experimentally. In this effort we have relied on experiments reported in the literature and—when experimental data were not sufficient—we have performed additional experiments providing an extended foundation for defect analysis. There is large interest in reducing the effort and cost of additive manufacturing process qualification and certification using integrated computational material engineering. A prerequisite is, however, that numerical methods can indeed capture defects. A multiscale multiphysics platform is developed and applied to predict and explain the origin of several defects that have been observed experimentally during laser-based powder bed fusion processes. The models utilized are briefly introduced. The ability of the models to capture the observed defects is verified. The root cause of the defects is explained by analyzing the numerical results thus confirming the ability of numerical methods to provide a foundation for rapid process qualification.

36 MATERIALS SCIENCE↗

A Study on Structural, Corrosion, and Sensitization Behavior of Ultrafine and Coarse Grain 316 Stainless Steel Processed by Multiaxial Forging and Heat Treatment

Cubic specimens from AISI 316 stainless steel were multiaxially forged to 15 passes and annealed at 1200 °C for 1, 2, and 3 h and finally sensitized at 700 °C for 24 h. Examination of samples indicated that the hardness of the annealed samples was reduced from 153 to 110, 81, and 74 HV for as-received sample and under 1, 2, and 3 h of annealing, and increased from 245 to 288 HV for samples forged at 3 and 7 passes. However, no significant changes were observed in a large number of passes and at about 300 HV. Degree of sensitization of samples was increased to approximately 27.3% at 3-h annealing but reduced to 1.23% by 15 passes of MF. The potentiodynamic polarization test shows that the breakdown potentials decreased with annealing time from 0.6 to − 102 (mV/SCE) for as-received and 3-h annealed specimen. These potentials increased to approximately − 16.5 mV with the increase in MF passes to 15. These observations indicated that the chromium carbide deposition affects Cr-depleted zone, which can subsequently affect the degree of sensitization and pitting corrosion resistance of AISI 316 austenitic stainless steel.

36 MATERIALS SCIENCE↗

Enhancement of Hot Corrosion Resistance of Modified 9Cr-1Mo Steel Through Surface Nanostructuring and Pre-oxidation

Nanosize grains of ~ 65 nm were developed with large misorientation angles of grain boundaries in surface region of normalized and tempered modified 9Cr-1Mo steel by ultrasonic shot peening (USSP) with hard steel balls of 3 mm diameter. The surface roughness and the depth of nanostructured surface region were found to increase with the duration of USSP from 0.5 to 5 min. Hot corrosion tests were performed for the Un-USSP and the samples USSPed for the durations of 0.25 and 1.5 min and also for the samples subjected to USSP and subsequently pre-oxidation at 600 °C for 4 h. The hot corrosion resistance at 600 °C under 100% NaCl coating was significantly improved by USSP for 1.5 min and subsequent pre-oxidation at 600 °C for 4 h. The results are discussed in terms of the formation of more uniform and effective protective iron–chromium oxide layer on the USSPed surface from the subsequent pre-oxidation treatment, prior to hot corrosion of the specimens under 100% NaCl coating at 600 °C.

36 MATERIALS SCIENCE↗

Joining of C{sub f}/SiBCN Composite with a Ni-Cr-Pd(Si,B) Filler Alloy

Joining of C{sub f}/SiBCN composite was conducted by a newly designed Ni-Cr-Pd(Si,B) system filler alloy. The dynamic wettability on the C{sub f}/SiBCN composite was measured by the sessile drop method. The joint microstructure and the fracture surface were analyzed by scanning electron microscope and x-ray diffraction spectrometer. The results showed that the Ni-Cr-Pd(Si,B) filler alloy exhibited a low contact angle of 11.6° on the composite after holding at 1170 °C for 30 min. Element Cr played an active role in the interfacial reaction, and a Cr{sub 7}C{sub 3} reaction layer with a thickness of 8 µm was formed at the surface of the C{sub f}/SiBCN composite. Under the brazing condition of 1170 °C for 10 min, the joint strength at the room temperature reached 66.8 MPa. When the test temperature increased to 600 and 800 °C, the joint strength was even elevated to 90.3 and 81.2 MPa, respectively. The joint strength at high temperature was higher than that at room temperature, and this should be attributed to the improvement of the joint plasticity and the release of the residual thermal stresses within the brazed joint.

36 MATERIALS SCIENCE↗

Dilation Behavior of Thermal Spray Coatings

The thermal expansion of a thermally sprayed coating material is an important design-relevant property from both processing and application service points of view. High thermal stresses and residual strains can arise during deposition, and thermal exposure in service. The linkage to process conditions which can impact both physical and chemical attributes of the microstructure and consequently its expansion behavior is of great importance. The observed dilation response of various coatings is discussed based on the processing effects that induce differences in microstructural features and the impact of residual strain and annealing of defects on the dilation behavior during first thermal exposure. The coefficient of thermal expansion (CTE) of coatings was found to approach the bulk when the material is not sensitive to oxidation in-flight. For those materials sensitive to oxidation, mathematical models used to describe effective properties of composite materials were adopted to describe the CTE property. A large irreversible dilation change was found in the first heating cycle due to defect annealing (referred to as thermal shakedown). Several reasons are hypothesized for the magnitude of such dilation change. Finally, together, the paper presents a comprehensive analysis of thermal expansion behavior of a diversity of thermal spray processed materials.

36 MATERIALS SCIENCE↗

Phase-field modeling of thermally-grown oxide and damage evolution in environmental barrier coatings

Silicon carbide-based ceramic matrix composites protected by environmental barrier coatings (EBCs) present a promising materials solution for next-generation gas turbines. Developing more robust and efficient EBCs is therefore of significant technological importance. During the service in high-temperature oxidative environments, there is a thermally grown oxide (TGO) layer, spontaneously formed in the EBC system. TGO is recognized as a critical factor for the degradation and failure of EBCs, yet the detailed mechanisms of TGO growth and its effect on EBC failure remain unclear. In this study we develop a comprehensive chemo-mechano-phase-field model to simulate growth of the TGO in EBCs, factoring in creep and deformation, and especially the cracking behaviors. The volume expansion due to TGO growth and the resulting large inelastic deformation are addressed by using our recently developed, so-called incremental realization of inelastic deformation (IRID) algorithm, in combination with an adapted Hu-Chen spectral solver for elasticity. Simulations of TGO growth are performed considering different growth modes of TGOs determined mainly by the ratio of oxidant permeability in the topcoat to that in the TGO itself. Large-scale three-dimensional (3D) simulations are performed to model the formation of interconnecting vertical/channel cracks (often called ‘mud cracks’). The simulated crack morphology are in excellent agreement with the experimental observations from the literature. The simulations also provide insights into the cracking of EBCs and its dependence on the structure and constituent properties of the coating system. Furthermore, these results demonstrate the developed damage model can be a useful tool for design of more durable EBCs.

Cracking↗

Crack nucleation and growth during dynamic indentation of chemically-strengthened glass

Dynamic point impact loading is a primary cause of fracture of glass screens on mobile devices. An improved understanding of crack initiation and evolution under high-speed indentation could contribute to the development of materials with better performance, but experimental observations are challenging due to the short timescales and limited depth-of-field of optical microscopy. To address this need, we have observed fracture of a chemically-strengthened glass during dynamic indentation using in situ x-ray phase-contrast imaging (XPCI). Median cracks initiate below the surface of the glass, at a depth approximately corresponding to the depth at which the surface residual compressive stress diminishes to zero. These cracks initially propagate at ~10ms –1 , rapidly accelerating to > 100ms –1 . We also observe some evidence for rate-dependent behavior, in that indentation at the lowest rates studied here (below about ~0.15ms –1 ) fails to initiate cracks regardless of the depth of the indentation (up to 18μm), while indentation at higher rates produces median cracks that either arrest or cause complete fracture, depending on the depth of indentation.

36 MATERIALS SCIENCE↗

Learning interpretable surface elasticity properties from bulk properties via neural network equation learners

Surface elasticity is central to understanding the mechanics and stability of surfaces and interfaces. It is characterized by quantities such as surface tension, residual surface stress, and surface stiffness. However their analytical expressions are typically difficult to derive from atomistic data, and depend strongly on modeling choices. This work presents a neural network-based equation learner which combines customized activation functions and connection-based pruning to discover parsimonious, closed-form equations for surface elasticity from atomistic simulations. Applying the method to seven face-centered cubic (FCC) metals, our equation learner uncovers interpretable equations that describe both low-Miller index and high-Miller index surface properties, capturing long-tail property distributions accurately. The discovered expressions are decoupled into two components: a universal, geometry-driven orientation function, and material-specific baseline coefficients. We find that lower-order properties such as surface tension are fundamentally geometry dependent, while higher-order properties such as surface stress and elasticity show more complex geometry and material dependence. We also relate material dependent coefficients to bulk properties, forming a clear map from bulk material properties to surface elasticity. Overall, this approach demonstrates that interpretable neurosymbolic machine learning can bridge the gap between atomistic simulations and physical laws, enabling the discovery of generalizable structure–property relationships for materials science phenomena such as surface elasticity.

Equation learning↗

Spark plasma sintering (SPS) densified U 3 Si 2 pellets: Microstructure control and enhanced mechanical and oxidation properties

Dense U 3 Si 2 pellets with controlled grain structure and enhanced thermal-mechanical and oxidation properties are synthesized with spark plasma sintering (SPS). Microstructure and phase composition of the SPS densified pellets are characterized systematically using SEM, EDS, and XRD. Thermal-mechanical properties and oxidation behavior of the sintered silicide fuel pellets are analyzed by laser flash, indentation, and dynamic thermogravimetric analysis. Dense U 3 Si 2 pellets are consolidated by combining high energy ball milling and rapid sintering by SPS, and the microstructure structures are controlled from micron-sized (~5.7 μm grain size) for conventional silicide to a nanocrystalline matrix with an average grain size of ~280 nm. A dominant phase of distorted U 3 Si 2 was identified with lattice expansion due to residual thermal stress upon SPS consolidation and rapid cooling processes. Both micron-sized and nano-sized pellets show exceptional thermal transport properties, consistent with monolithic silicides reported in literature. The SPS-densified pellets possess simultaneously high hardness and fracture toughness. The SPS-densified silicide pellets also demonstrate exceptional oxidation performance with extended onset oxidation temperature above 500 °C and reduced oxidation kinetics, particularly for nano-sized pellets. A strong strain effect was proposed in which compressive stress in nano-sized pellets enhances the oxidation resistance of silicide fuels, as evidenced by the degradation of oxidation performance upon strain relaxation by isothermal annealing. The correlation among the sintering process – microstructure control – physical properties and fuel behavior is established. A new concept of strain engineering is proposed further properties optimization, enabling the development of potential oxidation and corrosion-resistant silicides with extended performance, the key technological challenge of U 3 Si 2 as the leading concept of accident tolerant fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Intense cyclic heating effects on thermo-fracture and thermal shock of solid tungsten and open-cell tungsten foam

Here we investigate here the effects of transient (cyclic) arc-jet plasma and laser heating on fracture behavior of W-foam and solid tungsten. The two key parameters that control the foam thermomechanical response are its density and mean cell size expressed in Pores Per Inch (PPI). Tungsten foam samples were fabricated with Chemical Vapor Deposition (CVD) with variety of PPI and relative density. These were tested under two types of qualitatively different conditions: (1) high-enthalpy arc-jet, and (2) high-power cyclic laser heating. None of the foam samples showed macroscopic through-thickness cracks. However, distributed micro-cracks were observed on ligaments and their triple junctions. Under the same loading conditions, W-foam and solid tungsten showed similar crack network pattern and characteristic length-scale. However, Crack Opening Displacement (COD) was twice as large in solid W as compared to W-foam. Foam samples that have been previously exposed to a low-pressure helium plasma showed significant changes in their surface forming nano-texture fuzz which was removed by subsequent testing in the arc-jet. Extensive fracture and re-crystallization were observed in the thin solid W disk that was fully-constrained from expansion. Thicker and fully-constrained solid W disks did not display recrystallization, grain growth, and extensive cracking. However, thicker disks that were free to expand showed some recrystallization and extensive through-thickness cracks due to less effective cooling and thus higher temperatures. Laser beam testing showed no visible damage formation at 0.19 GW/m 2 and 0.38 GW/m 2 for both low-density (23%) and high-density (43%) foams at low pulses (100-1000). Micro-cracks were observed after 10,000 pulses at 0.19 GW/m 2 in both foams, and in low-density foam after 100,000 at 0.38 GW/m 2 . The nature of thermomechanical damage in W-foam exposed to extreme power (GW/m 2 ) short-duration laser pulses was found to be qualitatively similar to that of high power (MW/m 2 ) long-duration arc-jet.

36 MATERIALS SCIENCE↗

Limited-constraint WAAM fixture for hybrid manufacturing

This paper describes a limited-constraint alternative to the traditional over-constrained build plate clamping in metal additive manufacturing. A fixture design is presented that enables build plate thermal growth within its plane while restricting deformation perpendicular to that plane. A prototype fixture is designed, fabricated, and tested for wire arc additive manufacturing (WAAM). Experimental results are presented for depositing 1.2 mm diameter 5356 aluminum wire on a 5052 aluminum build plate. The build plate deformation is measured for various clamping torques and a 77.3% reduction in distortion is achieved using the limited-constraint approach with identical WAAM parameters.

36 MATERIALS SCIENCE↗

APS TBC performance on directionally-solidified superalloy substrates with HVOF NiCoCrAlYHfSi bond coatings

Directionally-solidified (DS) superalloy components with advanced thermal barrier coatings (TBC) to lower the metal operating temperature have the potential to replace more expensive single crystal superalloys for large land-based turbines. In order to assess relative TBC performance, furnace cyclic testing was used with superalloys 1483, X4 and Hf-rich DS 247 substrates and high velocity oxygen fuel (HVOF)-NiCoCrAlYHfSi bond coatings at 1100 °C with 1-h cycles in air with 10% H 2 O. With these coating and test conditions, there was no statistically-significant effect of substrate alloy on the average lifetime of the air plasma sprayed (APS) yttria-stabilized zirconia (YSZ) top coatings on small coupons. Using photo-stimulated luminescence piezospectroscopy maps at regular cycling intervals, the residual compressive stress in the α-Al 2 O 3 scale underneath the YSZ top coating and on a bare bond coating was similar for all three substrates and delaminations occurred at roughly the same rate and frequency. As a result, x-ray fluorescence (XRF) measurements collected from the bare bond coating surface revealed higher Ti interdiffusion occurring with the 1483 substrate, which contained the highest Ti content.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ion Size Effects on the Thermodynamic, Kinetic, and Mechanical Properties during Ion Exchange in Solid-State Electrolytes

Ion exchange offers a pathway to impose residual compressive stresses to mitigate the electro-chemo-mechanical cracking of solid-state electrolytes such as lithium lanthanum zirconium oxide. This study uses a coupled multiscale framework (integrating density functional theory (DFT), molecular dynamics (MD), and continuum modeling) to examine how exchange ion size influences stress, diffusion, fracture toughness, and electronic properties. Larger isovalent ions (Na + , Ag + , K + ) were exchanged with Li + , with DFT confirming their preference for octahedral 96h sites and a linear relationship between ion size and chemical free expansion coefficient. MD simulations reveal stress and concentration effects on exchange ion diffusivity at elevated temperatures, with Na + and Ag + maintaining favorable mobility while K + showing concentration-dependent clustering. Continuum modeling predicts the range of fracture strength improvements and the required ion exchange concentration profile. It was shown that a 5% surface exchange concentration can induce ∼0.6 GPa of surface compressive stress using Na + and ∼1.0 GPa of surface compressive stress using Ag + . On the other hand, larger ion exchange species may penalize Li + diffusivity by increasing the activation volume and activation energy. Interestingly, Na + has a negligible penalty on Li-ion diffusivity. The room temperature Li + ion diffusivity is reduced by ∼40% with Ag + ion exchange. Electronic band structure analysis shows no size-dependent change in the bandgap, though Ag + introduces localized defect states near the valence band maximum. This study highlights ion size as a key factor in optimizing LLZO properties, offering a framework to improve the solid-state battery performance.

Jagad, Harsh D. [Brown Univ., Providence, RI (Unit↗

Effect of nanopatterning on mechanical properties of Lithium anode

One of the challenges in developing Lithium anodes for Lithium ion batteries (LIB) is controlling the formation of Li dendrites during cycling of the battery. Nanostructuring and nanopatterning of electrodes shows a promising way to suppress the growth of Li dendrites. However, in order to control this behavior, a fundamental understanding of the effect of nanopatterning on the electromechanical properties of Li metal is necessary. In this paper, we have investigated the mechanical and wear properties of Li metal using Atomic Force Microscopy (AFM) in an airtight cell. By using different load regimes, we determined the mechanical properties of Li metal. Here, we show that as a result of nanopatterning, Li metal surface underwent work hardening due to residual compressive stress. The presence of such stresses can help to improve cycle lifetime of LIBs with Li anodes and obtain very high energy densities.

25 ENERGY STORAGE↗

Impact of selenium addition to the cadmium-zinc-telluride matrix for producing high energy resolution X-and gamma-ray detectors

Abstract Both material quality and detector performance have been steadily improving over the past few years for the leading room temperature radiation detector material cadmium-zinc-telluride (CdZnTe). However, although tremendous progress being made, CdZnTe still suffers from high concentrations of performance-limiting defects, such as Te inclusions, networks of sub-grain boundaries and compositional inhomogeneity due to the higher segregation coefficient of Zn. Adding as low as 2% (atomic) Se into CdZnTe matrix was found to successfully mitigate many performance-limiting defects and provide improved compositional homogeneity. Here we report record-high performance of Virtual Frisch Grid (VFG) detector fabricated from as-grown Cd 0.9 Zn 0.1 Te 0.98 Se 0.02 ingot grown by the Traveling Heater Method (THM). Benefiting from superior material quality, we achieved superb energy resolution of 0.77% at 662 keV (as-measured without charge-loss correction algorithms) registered at room temperature. The absence of residual thermal stress in the detector was revealed from white beam X-ray topographic images, which was also confirmed by Infra-Red (IR) transmission imaging under cross polarizers. Furthermore, neither sub-grain boundaries nor their networks were observed from the X-ray topographic image. However, large concentrations of extrinsic impurities were revealed in as-grown materials, suggesting a high likelihood for further reduction in the energy resolution after improved purification of the starting material.

36 MATERIALS SCIENCE↗

Damage and strain in single-layer graphene induced by very-low-energy electron-beam irradiation

From the analysis of the ratio of D peak intensity to G peak intensity in Raman spectroscopy, electron beam irradiation with energies of 100 eV was found to induce damage in single-layer graphene. The damage becomes larger with decreasing electron beam energy. Internal strain in graphene induced by damage under irradiation is further evaluated based on G peak shifts. The dose-dependent internal strain was approximately 2.22% cm{sup 2}/mC at 100 eV and 2.65 Multiplication-Sign 10{sup -2}% cm{sup 2}/mC at 500 eV. The strain induced by the irradiation showed strong dependence on electron energy.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Strain effects in epitaxial Mn{sub 2}O{sub 3} thin film grown on MgO(100)

We report on the epitaxial growth and magnetic properties of Mn{sub 2}O{sub 3} thin films grown on MgO(001) substrate by molecular beam epitaxy. We observed the reduction in binding energy of Mn valence states, the increase in satellite separation up to 12.7 eV, and the smaller band gap of 3.32 eV. In addition, the antiferromagnetic ordering below 90 K in bulk changed to ferrimagnetic up to 175 K. The results were possibly to be explained by a lattice mismatch strain on Mn{sub 2}O{sub 3} film on MgO(001) substrate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗