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At least 307 records · Page 17

Role of grain boundary crystallography on void growth in FCC metals

The growth of an isolated spherical void at and near a grain boundary or a triple junction is studied by means of full-field crystal plasticity simulations with explicit representation of the void. To examine the fundamental aspects of void/grain boundary interactions in these cases, a three-dimensional large-strain elasto-viscoplastic fast-Fourier transform (LS-EVP-FFT) model with axisymmetric tensile periodic boundary conditions was developed. We employ this model to reveal the role of crystallography (grain orientations, grain boundary misorientation and inclination angle with respect to the largest component of the applied stress) and type of loading on void growth. It was found that grain orientation was the primary crystallographic feature governing void growth in strain-rate controlled simulations. For strains small enough to not significantly alter the local geometry, the overall growth of the void in bicrystal boundaries was not strongly affected by grain boundary inclination angle. The relative amount of void growth experienced within each grain in a bicrystal or tri-crystal was strongly dependent on the grain boundary inclination angle. We found a subset of orientations that exhibit faster void growth in bicrystal boundaries than inside the constituent single crystals. Last, we show that when placed primarily in one grain but near the grain boundary, void growth was similar to void growth when placed at the grain boundary. Furthermore, the growing void remained in the original grain and did not grow into the other grain, regardless of crystallographic character.

36 MATERIALS SCIENCE↗

Elevated temperature ductility dip in an additively manufactured Al-Cu-Ce alloy

The deformation and failure mechanisms of Al-9Cu-6Ce (wt%) based alloys fabricated with laser powder bed fusion were investigated from room temperature to 400°C. The yield and ultimate tensile strengths decreased monotonically with increase in temperature, but the tensile elongation dipped unexpectedly at elevated temperatures and exhibited a minimum at 300°C. The dip in tensile elongation occurred with a concomitant dip in strain-rate sensitivity (SRS) of deformation. The as-fabricated alloy microstructure was heterogeneous, and the heat affected zone (HAZ) underneath the melt pool boundary was prone to strain localization. At 300 °C, the reduced SRS promoted the progression of strain localization in the HAZ leading to failure initiation and the dip in tensile elongation. Furthermore, a higher SRS or strain-hardening rate at other temperatures improved the tensile elongation by slowing the progression of strain localization in the HAZ such that failure initiated by other mechanisms elsewhere in the microstructure. Notably, the tensile elongation was limited by the defect structure only in a narrow temperature range (150 - 200 °C) while at other temperatures it was limited by the inherent microstructural features. This investigation exemplifies unexpected deformation and failure mechanisms possible in heterogeneous microstructures that result from additive manufacturing.

36 MATERIALS SCIENCE↗

Utah FORGE: Neubrex Well 16B(78)-32 Fiber Optics Reports - Stimulation and Circulation, 2024

This zip file contains reports discussing the use of fiber optics during well 16B(78)-32 stimulation and circulation tests in the summer of 2024. The reports cover the collection of strain rate and temperature change data during these well events. Theory, methods, and initial data visualizations are included in the reports, highlighting the value of these data types.

15 GEOTHERMAL ENERGY↗

Prediction and demonstration of periodic tensile cracking in rate-dependent porous cement

Periodic dilation bands are shown to occur when cylinder-shaped saturated cement specimens are subjected to rapid decompression, with the spacing between the bands scaling as a power law of the decompression time. This behavior is predicted by theory, which is specified to this scenario based on prior work that was more general and applied to compaction. Specifically, the formation of the bands is shown to coincide with periodicity that naturally arises in the effective stress when the material follows a Terzaghi-type consolidation law, although in reverse for dilation and with material deformation described by a rate-dependent viscoplastic law. When strain rate is proportional to effective stress to a power that is greater than one, periodic regions of tensile effective stress arise through the poromechanical fluid-solid coupling. The theoretically-predicted exponent of the resulting power-law relationship between dilation band spacing and unloading time successfully brackets the experimental results, for which it is observed that the exponent is slightly stronger than a square-root relationship (0.28 to 0.67) at testing temperatures of 20 °C and 90 °C. Further, these results demonstrate that rapid-depressurization leads to periodic fracturing that could, on the one hand, be detrimental to the isolation provided by cement used to seal wellbores in the petroleum industry. On the other hand, the dilation bands could also be favorable to production if generated in low-permeability reservoir rocks such as shales that are targeted for petroleum production or granites that are targeted for geothermal energy.

36 MATERIALS SCIENCE↗

Utah FORGE: Neubrex Well 16B(78)-32 DAS Data - April, 2024

This dataset comprises Distributed Acoustic Sensing (DAS) data collected from the Utah FORGE monitoring well 16B(78)-32 (the producer well) during hydraulic fracture stimulation operations conducted in April 2024. The data were acquired continuously over the stimulation period at a temporal sampling rate of 10,000 Hz (10 kS/s) and a spatial resolution of approximately 3.35 feet (1.02109 meters). The measurements were captured using a Neubrex NBX-S4100 Time Gated Digital DAS interrogator unit connected to a single-mode fiber optic cable, which was permanently installed within the casing string. All recorded channels correspond to downhole segments of the fiber optic cable, from a measured depth (MD) of 5,369.35 feet to 10,352.11 feet. The DAS data reflect raw acoustic energy generated by physical processes within and surrounding the well during stimulation activities at wells 16A(78)-32 and 16B(78)-32. These data have potential applications in analyzing cross-well strain, far-field strain rates (including microseismic activity), induced seismicity, and seismic imaging. Metadata embedded in the attributes of the HDF5 files include detailed information on the measured depths of the channels, interrogation parameters, and other acquisition details. The dataset also includes a recording of a seminar held on September 19, 2024, where Neubrex's Chief Operating Officer presented insights into the data collection, analysis, and preliminary findings. The raw data files, stored in HDF5 format, are organized chronologically according to the recording intervals from April 9 to April 24, 2024, with each file corresponding to a 12-second recording interval.

15 GEOTHERMAL ENERGY↗

Atomistic deformation mechanism of silicon under laser-driven shock compression

Abstract Silicon (Si) is one of the most abundant elements on Earth, and it is the most widely used semiconductor. Despite extensive study, some properties of Si, such as its behaviour under dynamic compression, remain elusive. A detailed understanding of Si deformation is crucial for various fields, ranging from planetary science to materials design. Simulations suggest that in Si the shear stress generated during shock compression is released via a high-pressure phase transition, challenging the classical picture of relaxation via defect-mediated plasticity. However, direct evidence supporting either deformation mechanism remains elusive. Here, we use sub-picosecond, highly-monochromatic x-ray diffraction to study (100)-oriented single-crystal Si under laser-driven shock compression. We provide the first unambiguous, time-resolved picture of Si deformation at ultra-high strain rates, demonstrating the predicted shear release via phase transition. Our results resolve the longstanding controversy on silicon deformation and provide direct proof of strain rate-dependent deformation mechanisms in a non-metallic system.

36 MATERIALS SCIENCE↗

Hydrogen influences thermal activation parameters for dislocation glide during low cycle fatigue of 316L stainless steel

Measurements of activation areas are used to investigate the effect of hydrogen on the kinetics of dislocation glide during cyclic deformation in cold-worked 316L stainless steel. Non-charged and hydrogen-precharged (H-precharged) specimens were tested in low cycle fatigue (LCF) under plastic strain control. A series of plastic strain rate changes was performed periodically at the peak true plastic strain from the first cycle to half-life, and at various plastic strain values around stable hysteresis loops near half-life to determine the operational activation area, Δ a ∗. Both material conditions demonstrate a rapid increase in Δ a ∗ during the initial rapid softening followed by a region of approximately constant values coinciding with a reduced rate of softening. Near half-life, hydrogen reduces Δ a ∗ at a given true stress due to its effect on the activation distance and obstacle spacing. The magnitudes of Δ a ∗ reveal that bypassing solutes, cutting forest dislocations, and initiating cross slip are important mechanisms of thermally activated dislocation glide at all amplitudes, except hydrogen suppresses cross slip at the lowest plastic strain amplitudes. These results are supported by electron microscopy characterization of deformed microstructures. A Haasen plot analysis indicates that forest dislocations control the kinetics of deformation in both material conditions. It also reveals the presence of athermal obstacles in both non-charged and H-precharged conditions, likely dense dislocation tangles and cell walls. Additionally, the effect of hydrogen on microstructure evolution (by reducing the propensity for cross slip) leads to a dependence of athermal stress on plastic strain amplitude.

Activation area↗

Direct comparison between experiments and dislocation dynamics simulations of high rate deformation of single crystal copper

A long standing challenge in computational materials science is to establish a quantitative connection between the macroscopic properties of plastic deformation with the microscopic mechanisms of dislocations in crystalline materials. Although the discrete dislocation dynamics (DDD) simulation method has been developed for several decades with the goal of addressing this challenge, a one-to-one comparison between the DDD predictions on single crystal stress–strain curves and experimental measurements under identical conditions has not been possible to date. Such a comparison is an essential step towards establishing a dislocation-physics based theory of plasticity and a multiscale framework of the plastic behaviors of crystalline materials. Here we provide direct comparisons between the stress–strain curves of Cu single crystals under high strain rate loading in the [0 0 1] and [0 1 1] directions obtained from miniaturized desktop Kolsky bar experiments and those from DDD simulations under identical loading conditions. With an appropriate set of parameters, DDD simulations can produce stress–strain curves that are in reasonable agreement with the experimental results. However, the dislocation mobility values needed to achieve this agreement are an order of magnitude lower than expected based on previous measurements and atomistic simulations. We hypothesize that this discrepancy could be caused by drag forces from jogs and point defects produced during the plastic deformation. Cross-slip of screw dislocations is also found to be necessary to capture the experimental stress–strain behavior, especially for the [0 1 1] loading direction. Finally, this work provides an example of how direct comparisons between DDD simulations and experimental measurements can provide new insight into the fundamental mechanisms of plastic deformation.

36 MATERIALS SCIENCE↗

High-throughput additive manufacturing and characterization of refractory high entropy alloys

Refractory High Entropy Alloys (RHEAs) and Refractory Complex Concentrated Alloys (RCCAs) are high-temperature structural alloys ideally suited for use in harsh environments. While these alloys have shown promising structural properties at high temperatures that exceed the practical limits of conventional alloys, such as Ni-based superalloys, exploration of the complex phase-space of these materials remains a significant challenge. We report on a high-throughput alloy processing and characterization methodology, leveraging laser-based metal additive manufacturing (AM) and mechanical testing techniques, to enable rapid exploration of RHEAs/RCCAs. We utilized in situ alloying and compositional grading, unique to AM processing, to rapidly-produce RHEAs/RCCAs using readily available and inexpensive commercial elemental powders. We demonstrate this approach with the MoNbTaW alloy system, as a model material known for having exceptionally high strength at elevated temperature when processed using conventional methods (e.g., casting). Microstructure analysis, chemical composition, and strain rate dependent hardness of AM-processed material are presented and discussed in the context of understanding the structure-properties relationships of RHEAs/RCCAs.

36 MATERIALS SCIENCE↗

A Novel Design of Guiding Stress Wave Propagation

Impact loads can induce a series of undesirable physical phenomena including vibration, acoustical shock, perforation, fracture and fragmentation, etc. The energy associated with the impact loads can lead to severe structure damage and human injuries. A design approach which effectively reduces these negative impacts through shock/stress wave diversion is highly needed. In this paper, a computational model which predicts stress wave propagation by considering different beam geometries and configurations is developed. Additionally, a novel concept of wave guide design which modifies the stress wave propagation path without disturbance is also presented. Furthermore, this design approach is not only useful for material property characterization particularly at intermediate or high strain rates, but also allows stress wave propagation in a desired direction as the shock/impact energy can be redistributed in controllable paths. The numerical results are experimentally verified through a Drop-Hopkinson bar apparatus at Sandia National Laboratories.

36 MATERIALS SCIENCE↗

Plastic deformation of single crystals of the equiatomic Cr-Mn-Fe-Co-Ni high-entropy alloy in tension and compression from 10 K to 1273 K

In this report the plastic deformation behavior of single crystals of the quinary, equiatomic Cr-Mn-Fe-Co-Ni high-entropy alloy (HEA) with the face-centered cubic structure has been investigated in tension and compression as a function of crystal orientation and temperature from 10 K to 1373 K. The critical resolved shear stress (CRSS) for {111}<110> slip at room temperature is 42-45 MPa. It does not depend much on crystal orientation (i.e., the Schmid law holds true) and the sense (tension vs. compression) of the applied load. The CRSS for {111}<110> slip increases with the decrease in temperature, without showing any significant inertia effects at cryogenic temperatures below 77 K. Extrapolation from the measured yield stresses down to 10 K yields a CRSS value at 0 K of 168 MPa. At cryogenic temperatures, the measured strain-rate sensitivity of flow stress is consistent with a very small activation volume. The concept of stress equivalence holds true both for the temperature dependence of CRSS and the stress dependence of activation volume, indicating that solid-solution hardening is the major strengthening mechanism. Deformation twinning occurs at 77 K but not at room temperature, resulting in higher tensile elongation to failure at 77 K than at room temperature. Deformation twinning at 77 K occurs at a shear stress of 378 MPa on conjugate ($\bar1\bar11$) planes in the form of Lüders deformation after large plastic strain (about 85%) achieved by the stage I (easy glide) and stage II (linear work-hardening) deformation.

36 MATERIALS SCIENCE↗

Dynamic properties of 316l stainless steel repaired using electron beam additive manufacturing

Additive manufacturing has the potential to be used for repair of high-value parts, but the strength and integrity of such repaired parts, especially under dynamic loading, in still unknown. This work presents the results of high strain-rate dynamic testing of additively repaired stainless steel samples. The 316L samples were intentionally damaged and subsequently repaired with 308L stainless steel wire using electron beam additive manufacturing. The repaired samples were subjected to gas-gun impact testing to induce incipient damage and determine the role played by the repaired region in dictating damage and failure. The results show the following: 1) the equation of state of the repaired region is comparable to the original material as shown by the unchanged spall plane location, 2) the deformation behavior is similar to the original material as shown by the similar Hugoniot Elastic limit, 3) the spall strength of the repaired region is slightly higher than the original material due to varying grain size, and 4) the damage morphology in the repaired region is different and involves a high rate of void coalescence. In conclusion, despite these minor differences in the spall strength and the damage morphology, the overall dynamic response of the original material and repaired samples is similar suggesting that AM is a promising approach for repairing high-value components.

36 MATERIALS SCIENCE↗

Structural Effects of Postulated Hydrogen Explosions in Process Piping and Vessels - 20274

At Savannah River Site (SRS), preparations to startup new liquid waste operations and recent advances in understanding thermolytic hydrogen generation have led to several recent studies on the structural effects of postulated hydrogen explosions. This paper reports on seven representative piping and vessel cases that are evaluated for deflagrations, detonations, and deflagration-to-detonation transition (DDT) assuming the initial mixture is stoichiometric hydrogen and air. The evaluations are based on the approach used by the Department of Defense for analyzing structures subjected to accidental explosions and include inelasticity, dynamic structural amplification, and material strain-rate effects. Evaluation criteria consider the potential for repeated explosions causing fatigue but also consider that some degree of permanent plastic deformation is acceptable as long as rupture is prevented. Specific conclusions depend on the assumed pre-ignition pressure. If the pre-ignition pressure is atmospheric and if the components are designed to a code from the American Society of Mechanical Engineers, the components evaluated are expected to plastically deform but not rupture under the explosion scenarios considered. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Observation and Modeling of Dynamic Fracture Behaviors of Battery Cell Under Impact Loading Using Enhanced Representative Volume Element Concept

The burgeoning electric automobile industry has increased interest in battery safety. Battery cells experience significant mechanical stress during operation, including the impact of accidents and vibrations from driving. The potential for thermal runaway reactions in battery cells raises safety concerns. Although numerous researchers have defined the dynamic behavior of battery cells and proposed numerical models to describe it, few studies have focused on the high-strain rate mechanical impact phase correlated with the onset of fracture. In this study, we describe the dynamic behavior of pouch battery cells and propose a modeling method to study their mechanical failure under impact situations. Impact tests are conducted at various velocities and heights. To overcome numerical issues commonly encountered under rapid deformation scenarios, a new finite element model is developed based on the representative volume element model. The proposed approach efficiently simulates continuous crack propagation and brittleness behavior during impact by permitting the individual behavior of the cell components. Therefore, engineers can reliably design safer electric vehicle battery cells by measuring the properties of the cell components.

ENERGY STORAGE↗

Nanoscale phase transition in impact indented Mo/Cu thin films

The study reveals a size effect in deformation mechanisms via unique structural transitions in sputter deposited fcc/bcc nanolayers under high strain rate impact nanoindentation as layer thickness is reduced from around 100-200 nm to around 5 nm. Here, the indented 5 nm Cu/5 nm Mo multilayer films characterized via cross-sectional scanning/transmission electron microscopy have revealed a phase transition in the 5 nm thick Mo layers from BCC to a coherent metastable FCC structure and fine deformation twins in the 5 nm Cu layers inside a shear band that is approximately 500 nm long and inclined to the layer interfaces. In contrast, thicker layers, 80 nm Cu/180 nm Mo, show different deformation behavior with uneven layer thickness reduction, shearing of Cu layers, and bending of the columnar Mo grains beneath the indentation without any sign of shear band and localized phase transformation.

36 MATERIALS SCIENCE↗

The Work of Mechanical Degradation in Elongating Polymer Melts

Molecular dynamics simulations are used to study the mechanical degradation of well-entangled polymer melts during uniaxial extensional flow. Simulations measure the transient rise in extensional stresses and relate them to the molecular alignment and scission of chain backbones. Intermolecular entanglements couple chain scission in space and time, making degradation sensitive to deformation history and strain rate in ways not displayed by dilute polymer solutions. The rate of chain scission is nonmonotonic and peaks at strains corresponding to the maximum extensibility of entanglement segments but prior to the full extension of chain backbones. We measure a specific work per scission event w* and decompose it into separate contributions associated with chain alignment, chemical bond breaking, and scission-induced plasticity. We find chain scission in melts requires activating plastic dissipation that is multiple orders of magnitude larger than the chemical work required to break a covalent backbone bond. Our findings underscore the critical need to consider bulk polymer mechanics and rheology in designing efficient mechanical degradation and mechanochemical processes.

36 MATERIALS SCIENCE↗

Enhanced Interfacial Bonding of Graft Copolymers

To understand how thermoplastic welding strength can be tuned through chemical modifications and macromolecular topology, we combined coarse-grained molecular dynamics (MD) simulations with experimental validation. Our simulations examined the diffusion dynamics of both linear and graft polymers across representative interfaces, revealing that diffusion-controlled interdigitation follows a power law, with the exponent decreasing from 0.34 to 0.11 as grafting density increases from 7.5 to 196% (with side chains grafted to both sides of a monomer unit). The addition of side chains enhances welding efficiency, as dense bottlebrush polymers with high grafting density reach maximum rupture strength faster than linear polymers. However, their saturated rupture strength is lower. This observation is subsequently corroborated by experimental lap-shear tests comparing linear polyethylene with octene grafted polyethylene elastomers. Our MD simulations show that unlike linear polymers, where backbone entanglements dominate, the grafted side chains introduce mechanisms in addition to entanglement dilution. The rapid interdigitation of side chains creates a dense mesh of entropic van der Waals contacts, which can also enhance the film welding. Furthermore, our MD simulations reveal a brittle rupture behavior in linear and comb-like (mildly grafted) polymers, while bottlebrush (densely grafted) polymers display elastomeric behavior with a pronounced stress plateau prior to fracture. Our simulations deconvolute the influence of polymer topology on deformation behavior. The rate of polymer deformation becomes lower than the applied strain rate prior to rupture, and the onset of this deviation is progressively delayed from linear to bottlebrush polymers. This trend highlights the critical role of molecular architecture in governing the mechanical response. In conclusion, these results provide deeper insight into the underlying welding mechanisms of topological polymers and present a potential approach for mitigating the interface anisotropy that is inherent in advanced manufacturing techniques such as fused filament fabrication.

graft copolymers↗

Thermal loading effects on chalk hydromechanical behavior for nuclear waste disposal

Safe disposal of heat-generating nuclear waste depends on host rock stability under thermal, hydrological, and mechanical stresses. This study investigates the effect of thermal loading on mechanical behavior of the shallowly buried Ghareb formation chalk through triaxial and hydrostatic constant strain rate and creep tests at temperatures up to 100 ˚C and effective pressures up to 20.7 MPa. Experimental results show that thermal loading reduces the elastic moduli of chalk by 50–75%, and a transition occurs above 60 ˚C where creep rates increase rapidly. Water saturation nearly doubles the thermally induced strain compared to dry conditions and strongly decreases material rigidity. Thermal loading also leads to significant pore pressure increases under undrained conditions and leads to reductions in the apparent permeability during drained conditions. Laboratory experimental data were used to parameterize and develop a preliminary constitutive model for predicting future deformation during repository operations in the Ghareb. The strongly coupled effects – mechanical weakening, fluid pressure fluctuations, and permeability modification – demonstrate that elevated repository temperatures will have a pronounced effect on the near field Ghareb behavior during waste disposal operations. The findings indicate that the coupled interactions must be considered in predictive models and repository design to ensure long-term nuclear waste isolation and safety.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗