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At least 91 records · Page 5

Multi-Scale Modelling of the Bound Metal Deposition Manufacturing of Ti6Al4V

Nonlinear shrinkage of the metal part during manufacturing by bound metal deposition, both on the ground and under microgravity, is considered. A multi-scale physics-based approach is developed to address the problem. It spans timescales from atomistic dynamics on the order of nanoseconds to full-part shrinkage on the order of hours. This approach enables estimation of the key parameters of the problem, including the widths of grain boundaries, the coefficient of surface diffusion, the initial redistribution of particles during the debinding stage, the evolution of the microstructure from round particles to densely-packed grains, the corresponding changes in the total and chemical free energies, and the sintering stress. The method has been used to predict shrinkage at the levels of two particles, of the filament cross-section, of the sub-model, and of the whole green, brown, and metal parts.

Nonlinear shrinkage↗

Hybrid Additive Manufacturing and Electric Field-Assisted Sintering of High-temperature Heat Exchangers via Sacrificial Channel Molds

A hybrid manufacturing approach, integrating additive manufacturing (AM) with powder methodology via electric field-assisted sintering (EFAS), was developed for the fabrication of high-temperature compact heat exchangers (CHX) from refractory metals. The methodology employed additively manufactured sacrificial channel molds (SCMs) as shapeholders for CHX channels, which were embedded in metal powders using EFAS. Following embedding, the SCMs were chemically dissolved to form the internal channel network. SCMs were fabricated using both digital light processing (DLP) and direct ink writing (DIW) from chemically reactive, calcium-based ceramic feedstocks with varying ratios of Al2O3 reinforcement. The microstructure, phase composition, and dissolution behavior of both as-printed and embedded SCMs were investigated. The shrinkage behavior of the SCMs embedded in refractory metals, as well as the interfacial characteristics between the SCMs and metal matrix, were studied. The results showed that the SCMs containing sufficient chemical reactive ceramics dissolved effectively before and after embedding. The as-printed SCMs retained the phase composition of their feedstocks, but the embedded SCMs containing calcium-based ceramics and Al2O3 exhibited the formation of calcium aluminates due to high temperature exposure during embedding. Most SCMs exhibited a cellular Al2O3 network filled with Ca-rich ceramics. Shrinkage after embedding was strongly dependent on SCM density, with lower density SCMs exhibiting greater shrinkage. A thin SCM-affected zone was observed at the metal matrix surface, characterized by increased porosity compared to the bulk matrix. This effect was attributed to infiltration of the SCM materials into powder particle boundaries under pressure, followed by their removal during dissolution. This study demonstrates the feasibility of manufacturing CHXs from hard-to-process refractory metals for use in harsh environments.

36 - MATERIALS SCIENCE↗

In-situ TEM investigation of void swelling in nickel under irradiation with analysis aided by computer vision

Understanding the stability of irradiation-induced voids in materials is important for engineering material's swelling behavior under irradiation. In-situ TEM offers a spatial and temporal resolution that is suitable for investigating the evolution of voids under irradiation. However, the in-situ videos have often been too large to be analyzed manually, leaving the valuable data underutilized. For this work, we developed a deep learning-based semantic segmentation model to consistently study the growth and shrinkage of voids in nickel under 1 MeV krypton ion irradiation at various temperatures from 525 °C to 650 °C. With a foil thickness near 100 nm and ion flux of 6.3 × 10 11 ions∙ cm –2 ∙s –1 , the pre-existing voids, which were created beforehand by irradiation at 600 °C to 0.5 dpa, shrank at low temperatures and grew at high temperatures under irradiation, where the transition occurred at 575 °C (~0.5 T M ). The observed stability transition provided new insight for the shrinkage mechanism of voids under irradiation. In addition, an annealing experiment on nickel, previously irradiated at 600 °C to 3 dpa, was performed sequentially at 650 °C to 720 °C to reveal the shrinkage rate of void as a function of temperature and void size. The advantage of combining computer vision and in-situ TEM to obtain comprehensive void evolution was demonstrated.

36 MATERIALS SCIENCE↗

Comprehensive characterization of the irradiation effects of glassy carbon

Carbon materials have become increasingly diverse, finding applications in high-temperature and high-radiation environments. Glassy carbon, an allotrope known for its exceptional chemical inertness and desirable mechanical properties. However, understanding neutron irradiation effects in glassy carbon has proven challenging, primarily because of its unique nanopore structure. Here, this study presents a highly detailed microstructural characterization investigation of neutron-induced changes in glassy carbon, revealing how changes in nanopore structure and crystallinity impact the irradiation-induced shrinkage. Aberration-corrected scanning transmission electron microscopy (STEM) reveals pore closure that leads to material densification in the irradiated samples. Dimensional analysis combined with comparison to historical data suggest significant length shrinkage to occur. Neutron and in situ electron irradiation experiments suggest that glassy carbon transforms into so-called carbon onions, supporting the concept of shrinkage saturation. Investigating irradiation temperature effects using STEM, electron energy loss spectroscopy, x-ray diffraction, and Raman spectroscopy revealed partial amorphization at 210 °C–230 °C and preserved order in glassy carbon at 860 °C, coinciding with pore closure. Thermal property measurements were also conducted to assess the effects of densification and other changes in the atomic structure of glassy carbon. The results of this study have broad implications in the deployment of glassy carbon to nuclear environments, based around the observed changes in the thermal properties, and demonstrates the operational window for the onset of densification.

36 MATERIALS SCIENCE↗

Towards understanding particle rigid-body motion during solid-state sintering

A quantitative understanding of particle rigid body (RB) motion that inherently accompanies grain boundary (GB) diffusion is highly desirable to understand and control the dynamic interplay between coarsening and densification during solid state sintering. In this work, by computer simulation using a multi-phase-field approach, we analyze systematically the roles played by each of these processes at different stages of the shrinkage of the internal pore in a three-particle green body as a function of particle size as well as thermodynamic and kinetic factors of interfaces. We demonstrate that particle RB translation promotes both neck growth, and pore rounding and shrinkage. Moreover, the forces acting at GBs and pulling neighboring particles towards one another dynamically evolve as particles fuse. In contrast, particle RB rotation has no contribution to pore shrinkage. The translational force acting on an individual particle varies with not only its size, but also the number and sizes of its neighboring particles.

36 MATERIALS SCIENCE↗

Substrate-Mediated Evaporation and Stochastic Evolution of Supported Au Nanoparticles

Here, we use in situ transmission electron microscopy with automated tracking to study supported gold nanoparticles (NPs) during high-temperature vacuum annealing. The average mass loss per NP is governed by a flat, nearly size-independent substrate-mediated evaporation profile. On top of this mean shrinkage, individual NPs show significant fluctuations in apparent growth or shrinkage, and NP volume follows a random-walk-like trajectory. To rationalize both the ensemble-mean behavior and the particle-resolved variability, we develop a self-consistent theory that couples substrate-mediated evaporation to collective 2D Ostwald-type mass exchange through a shared adatom field, described in terms of a renormalized screening length and background concentration. In the experimentally relevant regime, the theory predicts an approximately size-independent mean shrinkage rate and clarifies how net mass loss suppresses classical coarsening. Superimposed on this deterministic drift, we quantify stochastic volume trajectories and capture their fluctuation spectrum with a minimal Langevin description consistent with intermittent adatom attachment and detachment events. In addition, we characterize the lateral diffusive motion of NPs, which is responsible for their coalescence. Altogether, our results highlight that stochasticity is intrinsic at the nanoscale and that predicting the evolution of supported NPs at early and intermediate times requires a unified framework combining substrate-mediated evaporation, collective mass exchange, and stochastic fluctuations.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Computer modeling of high-efficiency solar cells

Transport equations which describe the flow of holes and electrons in the heavily doped regions of a solar cell are presented in a form that is suitable for device modeling. Two experimentally determinable parameters, the effective bandgap shrinkage and the effective asymmetry factor are required to completely model the cell in these regions. Nevertheless, a knowledge of only the effective bandgap shrinkage is sufficient to model the terminal characteristics of the cell. The results of computer simulations of the effects of heavy doping are presented. The insensitivity of the terminal characteristics to the choice of effective asymmetry factor is shown along with the sensitivity of the electric field and quasielectric fields to this parameter. The dependence of the terminal characteristics on the effective bandgap shrinkage is also presented.

Schartz, R. J.↗

Aerogel Projects Ongoing in MSFC's Engineering Directorate

When we speak of an aerogel material, we are referring more to process and structure am to a specific substance. Aerogel, considered the lightest solid material, has been made from silica for seventy years. Resorcinol-formaldehyde, organic aerogels have been developed more recently. However, aerogel can be made from almost any type of substance, even lead. Because an aerogel is mostly air (about 99 %), the solid substance used will affect the weight very little. The term "aerogel" connotes the sol-gel process used to manufacture the material. The aerogel begins as a liquid "sol," becomes a solid "alcogel," and is then dried to become an "aerogel." The final product has a unique structure, useful for exploitation. It is an "open pore" system with nano-sized particles and pores, has very high surface area, and is highly interconnected. Besides low weight, aerogels have ultimate (lowest) values in other properties: thermal conductivity, refractive index, sound speed, and dielectric constant. Aerogels were first prepared in 1931 by Steven Kistler, who used a supercritical drying step to replace the liquid in a gel with air, preserving the structure (1). Kistler's procedure involved a water-to-alcohol exchange step; in the 1970's, this step was eliminated when a French investigator introduced the use of tetramethylorthosilicate. Still, alcohol drying involved dangerously high temperatures and pressures. In the 1980's, the Microstructured Materials Group at Berkeley Laboratory found that the alcohol in the gel could be replaced with liquid carbon dioxide before supercritical drying, which greatly improved safety (2). 'Me most recent major contribution has been that of Deshpande, Smith and Brinker in New Mexico, who are working to eliminate the supercritical drying step (3). When aerogels were first being developed, they were evaporatively dried. However, the wet gel, when dried, underwent severe shrinkage and cracking; this product was termed "xerogel." When the autoclave drying step was introduced, the final product was without cracks and showed only minimal shrinkage; this product was termed "aerogel." In the 1990's, Deshpande, Smith and Brinker developed an evaporative drying procedure in which the wet gel is chemically "capped" so that the material, which undergoes shrinkage, springs back to its original size when evaporatively dried. This new type of xerogel, while uncracked and almost the same size as the wet gel, differs from the autoclave-dried product in that it is less porous (approximately 70%, as compared to 99% for aerogels).

Shular, David A.↗

Method of Bonding Optical Elements with Near-Zero Displacement

The International X-ray Project seeks to build an x-ray telescope using thousands of pieces of thin and flexible glass mirror segments. Each mirror segment must be bonded into a housing in nearly perfect optical alignment without distortion. Forces greater than 0.001 Newton, or displacements greater than 0.5 m of the glass, cause unacceptable optical distortion. All known epoxies shrink as they cure. Even the epoxies with the least amount of shrinkage (<0.01%) cause unacceptable optical distortion and misalignment by pulling the mirror segments towards the housing as it cures. A related problem is that the shrinkage is not consistent or predictable so that it cannot be accounted for in the setup (i.e., if all of the bonds shrunk an equal amount, there would be no problem). A method has been developed that allows two components to be joined with epoxy in such a way that reduces the displacement caused by epoxy shrinking as it cures to less than 200 nm. The method involves using ultraviolet-cured epoxy with a displacement sensor and a nanoactuator in a control loop. The epoxy is cured by short-duration exposures to UV light. In between each exposure, the nano-actuator zeroes out the displacement caused by epoxy shrinkage and thermal expansion. After a few exposures, the epoxy has cured sufficiently to prevent further displacement of the two components. Bonding of optical elements has been done for many years, but most optics are thick and rigid elements that resist micro-Newton-level forces without causing distortion. When bonding thin glass optics such as the 0.40-mm thick IXO X-ray mirrors, forces in the micro- and milli-Newton levels cause unacceptable optical figure error. This innovation can now repeatedly and reliably bond a thin glass mirror to a metal housing with less than 0.2 m of displacement (<200 nm). This is an enabling technology that allows the installation of virtually stress-free, undistorted thin optics onto structures. This innovation is applicable to the bonding of thin optical elements, or any thin/flexible structures, that must be attached in an undistorted, consistent, and aligned way.

Robinson, David↗

Macrosegregation and Grain Formation Caused by Convection Associated with Directional Solidification Through Cross-Section Increase

Cylindrical Al-7 wt% Silicon, Al-19 wt% Copper and Lead-6 wt% Antimony alloy samples were directionally solidified (DS) with liquid above, solid below, and gravity pointing down, in graphite crucibles having an abrupt cross-sectional increase. These alloys have similar solidification shrinkage but are expected to have different degrees of thermosolutal convection during solidification. Microstructures in the DS samples in the vicinity of the section change have been studied in order to examine the effect of convection associated with the combined influence of thermosolutal effects and solidification shrinkage. Extensive radial and axial macrosegregation associated with cross-section change is observed. It also appears that steepling and local primary alpha-phase remelting resulting from convection are responsible for stray grain formation at the reentrant corners. Preliminary results from a numerical model, which includes solidification shrinkage and thermosolutal convection in the mushy zone, indicate that these regions are prone to solutal remelting of dendrites.

Ghods, Masoud↗

A Deformed Geometry Synthesis Technique for Determining Stacking and Cryogenically Induced Preloads for the Space Launch System

The Space Launch System (SLS) stacking and Core Stage (CS) fueling induce significant preloads that contribute to the liftoff pad separation “twang”. To accurately capture this, an approach is required that can replicate the physics of all SLS physical stacking steps, CS cryogenic shrinkage, associated geometric nonlinearities, and the transient behavior and decay of the preloads with changing boundary conditions as the vehicle separates from the pad. The Deformed Geometry Synthesis (DGS) approach presented here satisfies the above requirements. DGS determines induced preloads by modeling components in their deformed geometry states and then enforcing compatibility by closing the resulting “deadbands”. DGS seamlessly integrates into the multibody modal synthesis framework and does not require the use of artificial external loads to enforce preloads or post-processing steps to remove their influence. Since DGS iterates to solve for the deformed state inclusive of geometric nonlinearities, running linearized parametrics to exercise different potential orientations of ball jointed struts that connect the CS to Boosters for cryo-shrinkage analyses is entirely avoided. Relative to the transient behavior and decay of stacking and cryo-induced preloads with SLS liftoff pad separation, this is an area of considerable interest to the SLS program. To capture this in the most accurate way possible, DGS algorithms are designed to work with Henkel-Mar nonlinear pad separation algorithms which operate on the separating longitudinal and lateral degrees of freedom (DoFs) between the vehicle and the pad. As the separating DoFs release, in whatever manner as dictated by the interface geometries, interface loads and interface flexibilities as well as the external loading on the vehicle, the subject preloads generate a complex twang/decay time-trace as dictated by the physics of the problem. This paper presents DGS numerical verification against the closed-form solution for Timoshenko’s 3 ball-jointed strut preload problem. This problem is then extended by the authors to the geometric nonlinear case where DGS is compared to the Newton-Raphson solution of the nonlinear equations. Next, DGS is utilized to solve the SLS stacking and cryogenic shrinkage coupled loads analyses. Finally, Henkel-Mar pad separation simulations are executed that isolate the impact of the induced preloads’ twang and decay characteristics.

Space Launch System↗

Process Modeling of Woven Textiles

Woven polymer matrix composites offer numerous advantages over traditional unidirectional laminates. Processing conditions affect residual stress that builds up during manufacturing. This work proposes the analysis of three curing parameters on the local residual stress distribution of a plain weave textile architecture, including chemical shrinkage, the temperature cool down, and the evolution of matrix properties as a function of curing. Virtual curing is applied to the inter-tow matrix material of the plain weave Repeating Unit Cell (RUC) modeled in TexGen. Curing is implemented through user-written subroutines within the commercial software suite Abaqus. Results from process modeling are compared with a linear-elastic thermal cool down in Abaqus. A boundary conditions study is also conducted to compare the residual stress build up predicted by Flat(FBCs) and Periodic Boundary Conditions (PBCs). Preliminary results indicate that a thermal cool down over-estimates the end-of-cure stresses in the matrix. Process modeling is conducted with and without chemical shrinkage, then compared with a thermal cool down. Results show that 11.32% of the final stress state is due to chemical shrinkage. Material property evolution during curing also has a non-negligible effect on the end stress.

woven composites↗

ECAR-1943 AGC-1 INDIVIDUAL SPECIMEN FLUENCE, TEMPERATURE, AND LOAD CALCULATION AND TABULATION

This ECAR calculates the fluence and temperature of the AGC-1 specimens as they change elevation through the course of the experiment. The specimen elevation varies as the specimen stack shrinks due to irradiation and load induced creep. The compressed specimen stacks (S-1 thru S-6) have a graphite pushrod that applies a gas cylinder load. The top of the pushrod position is measured and recorded in the NGNP Data Management and Analysis System (NDMAS). The bottom of each of these compressed stacks is supported by the lower specimen holder which also shrinks as a result of irradiation and load. The specimen holder post-irradiation length was recorded during post-irradiation examination (PIE). Assuming the specimen holder shrinkage is linear with respect to the fluence received, the position of the top of the specimen holder can be calculated with respect to reactor integrated power. Assuming that individual specimen shrinkage is proportional to the fluence received, and that the shrinkage behavior is similar in all the specimens, the individual specimen position can be calculated.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Intrinsic self-stressing and low carbon Engineered Cementitious Composites (ECC) for improved sustainability

Highlights: • A self-stressing criterion for ECC was established and experimentally verified. • An intrinsic self-stressing ECC was developed by utilizing LC3 and CSA cement. • Initial maximum expansion and later expansion loss were successfully tailored. • Expansion mechanism was identified by XRD patterns. • Self-stressing ECC has 64% of the carbon footprint of conventional concrete. Engineered Cementitious Composites (ECC) is an emerging cementitious composite material with ultra-high ductility. However, its higher cement dosage limits its material greenness and leads to concerns with drying shrinkage. In this research, an ECC utilizing limestone calcined clay cement (LC3) and calcium sulphoaluminate cement (CSA) is investigated, focusing on minimizing the material's embodied carbon while enhancing its durability with intrinsic self-stressing functionality. A self-stressing criterion is theoretically established and experimentally verified. X-ray diffraction patterns reveal an ettringite quantity that modulates the initial expansion and later expansion-reversal of LC3-CSA-ECC to support a persistent self-stressing mechanism. LC3-CSA-ECC has a lower (64%) carbon footprint and similar embodied energy compared to conventional concrete. When combined with the durability advantage (tiny crack, high ductility of 5.5%, and self-stressing function), this low carbon self-stressing ECC holds promise as a sustainable repair material that lowers the embodied and operational carbon in civil infrastructure.

36 MATERIALS SCIENCE↗

Innovative Symmetrical Electrolyte Architecture Enables Ultra-Flat and Thermal Resilient Protonic Ceramic Electrochemical Cells

Protonic ceramic electrochemical cells (PCECs) represent a promising class of solid‐state energy conversion devices capable of high‐efficiency hydrogen production and power generation. However, the practical deployment of planar PCECs is fundamentally constrained by severe structural deformation and mechanical failure during fabrication, stemming from asymmetric shrinkage between the thin electrolyte and the thick NiO‐based support layer. Here, in this work, a functionally integrated, symmetry‐engineered double‐sided electrolyte (DE) design is unveiled, which not only suppresses thermally induced curvature but also unlocks significant gains in electrochemical performance and stability. This architecture intrinsically balances shrinkage dynamics across the cell bilaterally, enabling the fabrication of ultra‐flat 5 × 5 cm 2 cells with sub‐100 µm thickness variation. A numerical solid mechanics simulation is introduced to investigate and interpret this achievement. Beyond structural advantages, the DE configuration enhances the cell operational stability, delivering a low open‐circuit voltage degradation of 9.5 mV/100 h across 80 thermal cycles. This work establishes a compelling paradigm wherein architectural symmetry directly translates to both mechanical fidelity and functional enhancement, offering a promising route toward PCECs scale‐up.

08 - HYDROGEN↗

3D imaging techniques for characterising microcracks in cement-based materials

Concrete inherently contains pores and microcracks that can adversely impact its mechanical properties and long-term durability. However, characterising microcracks is difficult due to their complex, multiscale and three-dimensional (3D) nature. This paper presents an evaluation of 3D imaging techniques for characterising microcracks induced by different mechanisms. Seven cement pastes, mortars and concretes subjected to drying shrinkage, autogenous shrinkage and freeze-thaw cycles were investigated using focused ion beam nanotomography (FIB-nt), broad ion beam serial section tomography (BIB-SST), laser scanning confocal microscopy (LSCM) combined with serial sectioning and X-ray microtomography (μCT). The study shows that the characteristics of microcracks vary significantly depending on exposure conditions. Yet there is no single technique that can capture the entire size range of microcracks from sub to tens of μm within a sufficiently representative sampling volume. The achievable image volume and resolution, and the advantages and disadvantages of each technique are compared and discussed.

36 MATERIALS SCIENCE↗

New insights into the mechanism governing the elasticity of calcium silicate hydrate gels exposed to high temperature: A molecular dynamics study

When exposed to fire, the integrity of cement-based materials is governed by thermally-induced changes in the mechanical properties of their binding phase, i.e., the calcium–silicate–hydrate (C–S–H) gel. However, the effect of temperature on the structure, density, and mechanical properties of C–S–H remains only partially known. Here, based on reactive molecular dynamics simulations, we reveal the nature of thermally-induced damage in C–S–H gels. In general, we show that, at the atomic scale, exposure to high temperature results in partial dehydration, volumetric shrinkage, disordering, and stiffening in the C–S–H grains. However, we show that the thermal response of C–S–H strongly depends on its chemical composition, wherein C–S–H systems associated with lower Ca/Si molar ratios are able to undergo higher temperatures before amorphization. Based on these results, we demonstrate that the stiffness of C–S–H gels (i.e., including porosity—as probed by nanoindentation) is governed by a competition between the stiffening of the grains and the decrease in packing density—wherein the latter eventually become predominant.

36 MATERIALS SCIENCE↗

Damage development in neutron-irradiated concrete in a test reactor: Hygro-thermal and mechanical simulations

This paper reports the development of a 3D mesoscale hygro-thermal-mechanical simulation approach to predict damage in concrete irradiated in a test reactor. This framework, developed in MOOSE, considers the effects of elevated temperature, moisture content, and high neutron fluence (energy threshold, E > 0.1 MeV) on the mortar and aggregates separately. The first-stage simulation implements hygro-thermal analysis to determine the temperature and RH inside the specimen as a function of imposed radiation energy. These are used as inputs to the second stage, which considers radiation-induced volumetric expansion (RIVE) of aggregates, and creep, shrinkage, and stress-strain response of mortar to predict the expansion, stresses, and damage in specimens made using different coarse aggregates and subjected to different irradiation times. The irradiation time-dependent damage in the mortar is expressed using an isotropic damage parameter. This multi-physics model serves as a predictive tool for damage quantification in concrete due to neutron irradiation.

36 MATERIALS SCIENCE↗