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At least 757 records · Page 42

Rheology of Foam Near the Order-Disorder Transition

The first part of our research results are summarized in the recent journal publication: J. Gregory McDaniel and R. Glynn Holt, 'Measurement of aqueous foam rheology by acoustic levitation', Phys. Rev. E 61, 2204 (2000). This aspect of the work was a combination of experiment and analysis. We built a levitation system capable of acoustically levitating small samples of aqueous foam of arbitrary gas and liquid volume fractions. We then modulated the acoustic field to induce normal mode oscillations of the foam samples. The observables from the experiment were frequency and mode number. For dry (roughly > 70% gas by volume) foams and small deformations, we developed an effective medium, normal-modes analysis which took the frequency and mode number from experiment, and gave us the shear elastic modulus of the foam as a function of Poisson's ratio. The second part of our results may be found in a soon-to-be submitted manuscript 'Dynamics of aqueous foam drops', I.Sh. Akhatov, J.G. McDaniel and R.G. Holt, describing our modeling in the wet foam limit by considering the acoustic problem. This aspect of the research is purely theoretical. Beginning from a mass-conserving mixture law, the fully nonlinear equations of motion for a wet (roughly < 10% gas by volume) foam drop of initially spherical shape were derived. The frequencies for normal mode oscillations were derived in the linear inviscid limit. The nonlinear equations were numerically solved to elicit the motion of a foam drop under acoustic excitation. The role of the time-varying void fraction in breathing-mode oscillations is of particular interest. As of the end of the current (NAG#3-2121) grant, this work was not yet concluded. We continue to work on this aspect in order to extend the analysis to cover the transition regime of gas volume fractions, as well as to compare to experiments in the wet regime.

Holt, R. Glynn↗

Gene regulation by mechanical forces

Endothelial cells are subjected to various mechanical forces in vivo from the flow of blood across the luminal surface of the blood vessel. The purpose of this review was to examine the data available on how these mechanical forces, in particular cyclic strain, affect the expression and regulation of endothelial cell function. Studies from various investigators using models of cyclic strain in vitro have shown that various vasoactive mediators such as nitric oxide and prostacyclin are induced by the effect of mechanical deformation, and that the expression of these mediators may be regulated at the transcription level by mechanical forces. There also seems to be emerging evidence that endothelial cells may also act as mechanotransducers, whereby the transmission of external forces induces various cytoskeletal changes and second messenger cascades. Furthermore, it seems these forces may act on specific response elements of promoter genes.

Review, Tutorial↗

Fatigue Analysis of Notched Laminates: A Time-Efficient Macro-Mechanical Approach

A coupled transversely isotropic deformation and damage fatigue model is implemented within the finite element method and was utilized along with a static progressive damage model to predict the fatigue life, stiffness degradation as a function of number of cycles, and post-fatigue tension and compression response of notched, multidirectional laminates. Initially, the material parameters for the fatigue model were obtained utilizing micromechanics simulations and the provided [0], [90] and [plus or minus 45] experimental composite laminate S-N (stress-cycle) data. Within the fatigue damage model, the transverse and shear properties of the plies were degraded with an isotropic scalar damage variable. The damage in the longitudinal (fiber) ply direction was suppressed, and only the strength of the fiber was degraded as a function of fatigue cycles. A maximum strain criterion was used to capture the failure in each element, and once this criterion was satisfied, the longitudinal stiffness of the element was decreased by a factor of 10 (sup 4). The resulting, degraded properties were then used to calculate the new stress state. This procedure was repeated until final failure of the composite laminate was achieved or a specified number of cycles reached. For post-fatigue tension and compression behavior, four internal state variables were used to control the damage and failure. The predictive capability of the above-mentioned approach was assessed by performing blind predictions of the notched multidirectional IM7/977-3 composite laminates response under fatigue and post-fatigue tensile and compressive loading, followed by a recalibration phase. Although three different multidirectional laminates were analyzed in the course of this study, only detailed results (i.e., stiffness degradation and post-fatigue stress-train curves as well as damage evolution states for a single laminate ([30/60/90/minus 30/minus 60] (sub 2s)) are discussed in detail here.

Composite Fatigue analysis↗

Self-similar and fractal design for stretchable electronics

The present invention provides electronic circuits, devices and device components including one or more stretchable components, such as stretchable electrical interconnects, electrodes and/or semiconductor components. Stretchability of some of the present systems is achieved via a materials level integration of stretchable metallic or semiconducting structures with soft, elastomeric materials in a configuration allowing for elastic deformations to occur in a repeatable and well-defined way. The stretchable device geometries and hard-soft materials integration approaches of the invention provide a combination of advance electronic function and compliant mechanics supporting a broad range of device applications including sensing, actuation, power storage and communications.

Rogers, John A.↗

Two-functional seal for hose connection

Seal, machined from a plastic material, prevents liquid hydrogen leakage from hose connectors. It serves as a block-type seal supporting maximum loading of the poppet with slight elastic deflection or as a lip-type seal that is deformed elastically in bending, tension, or compression by the seated poppet.

Richardson, M. B.↗

Spectral Analysis of Regular Material Point Method and its Application to Study High Pressure Reverse Osmosis Membrane Compaction and Embossing

Material Point Method (MPM) is gaining widespread interest in applied continuum mechanics. The fact that all the continuum properties are stored on the particles (or material points) and the governing equations are solved on these material points makes MPM extremely suited to problems involving severe material deformations, such as crack propagation, soil movement, and fluid flows. Despite its popularity, only a few studies have focused on the numerical properties of MPM. This presentation introduces a global spectral analysis of the regular material point method. Contrary to previous studies, the analysis focuses on the numerical properties of the method in the spectral space. The amplification factor is derived as a function of the non- dimensional wave numbers. It provides insights into the stability and dissipative properties of the method for various CFL and Fourier numbers. The effect of the grid shape functions, number of particles per cell and their locations inside the grid cell are also analyzed. The EXAGOOP MPM solver (https://github.com/NREL/Exagoop.git) is developed at the National Renewable Energy Laboratory as a part of the NAWI UHPRO project and is based on the AMReX framework. A single-level, uniform cartesian grid is used as the background mesh, while the particle class in AMReX is used to manage the material point operations. Linear hat and B-splines are used as grid shape functions, while the time integration is performed using explicit Euler time integration. EXAGOOP is both CPU and GPU compatible and has been demonstrated to work well on multiple compute architectures. The performance of EXAGOOP on various computing architectures is presented along with its application to study compaction and embossing of high-pressure reverse osmosis membranes. The MPM solution accurately reproduces the membrane deformation. The deformed pore size and structure simulated using MPM also agree well with experimental SEM images.

material point method↗

Global properties of nuclei at finite-temperature within the covariant energy density functional theory

In stellar environments nuclei appear at finite temperatures, becoming extremely hot in core-collapse supernovae and neutron-star mergers. However, due to theoretical and computational complexity, most model calculations of nuclear properties are performed at zero temperature, while those existing at finite temperatures are limited only to selected regions of the nuclide chart. In this study we perform the global calculation of nuclear properties for even-even 8 ≤ Z ≤ 104 nuclei at temperatures in range 0 ≤ T ≤ 2 MeV. Calculations are based on the finite-temperature relativistic Hartree-Bogoliubov model supplemented by the Bonche-Levit-Vautherin vapor subtraction procedure. We find that near the neutron-drip line the continuum states have significant contribution already at moderate temperature T ≈ 1 MeV, thus emphasizing the necessity of the vapor subtraction procedure. Results include neutron emission lifetimes, quadrupole deformations, neutron-skin thickness, proton and neutron pairing gaps, entropy and excitation energy. Up to the temperature T ≈ 1 MeV, the nuclear landscape is influenced only moderately by the finite-temperature effects, mainly by reducing the pairing correlations. Here, as the temperature increases further, the effects on nuclear structures become pronounced, reducing both the deformations and the shell effects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

β-Functionalized trans -A2B2 push–pull tetrabenzoporphyrins

A series of β-functionalized trans-A2B2 tetrabenzoporphyrins have been successfully designed and synthesized through newly developed regioselective bromination chemistry of porphyrins and a Pd(0) catalyzed three-step-one pot reaction. These benzoporphyrins exhibit unique patterns of UV-Vis absorptions and emissions. Tetrabenzoporphyrins possess a unique combination of photophysical, optoelectronic, and physicochemical properties due to their largely extended π-conjugation and associated dynamics of ring deformation which make them distinctive from their parent porphyrins. As compared with their parent porphyrins, tetrabenzoporphyrins often display significantly red-shifted absorption bands, a much-desired feature for various applications ranging from biomedicine to organic electronics. However, due to limited synthetic methods, only a small number of simple symmetrical tetrabenzoporphyrins have been available for study. Unsymmetrical tetrabenzoporphyrins, in particular those functionalized at the porphyrin β-positions, are very difficult to access. A2B2 porphyrins, on the other hand, represent an attractive class of materials for non-linear optical applications as well as for other applications such as those involving dye-sensitized solar cells. meso-Functionalized push–pull trans-A2B2 porphyrins have previously been made available through the Suzuki coupling reaction, the Heck reaction and the Sonogashira coupling reaction of 5,10-dibromoporphyrin with the corresponding alkyl boronic acids, olefins and alkynes, respectively and have demonstrated interesting non-linear optical properties. In contrast, β-functionalized push–pull A2B2 porphyrins of the type shown in Fig. 1 have until now remained unknown. Furthermore, we present the synthesis and characterization for the first examples of β-functionalized A2B2 push–pull tetrabenzoporphyrins.

Kumar, Siddhartha↗

Simultaneous shape and topology optimization of inflatable soft robots

Simultaneous shape and topology optimization is used to design pressure-activated inflatable soft robots. The pressure loaded boundary is meshed conformingly and shape optimized, while the morphology of the robot is topology optimized. The design objective is to exert maximum force on an object, i.e. to produce soft “grippers”. The robot’s motion is modeled using nearly incompressible finite deformation hyperelasticity. To ensure stability of the robot, the buckling load factors obtained via linearized buckling analyses are constrained. The finite element method is used to evaluate the optimization cost and constraint functions and the adjoint method is employed to compute their sensitivities. The numerical examples produce pressure-driven soft robots with varying complexity. We also compare our simultaneous optimization results to those obtained via sequential topology and then shape optimization.

42 ENGINEERING↗

New self-consistent homogenization for thermo-elastic polycrystals with imperfect interfaces

Here we present a new thermo-elastic self-consistent formulation to calculate the thermo-mechanical response of polycrystalline aggregates with imperfect interfaces. The new model is based on an improved treatment of the effect of imperfect interfaces on the micromechanical response of the grains compared to pre-existing models. New expressions/algorithms are derived for the effective elastic and thermal properties, localization relations, and calculation of intragranular field fluctuations. In addition, derivation of a novel integral equation for the strain field in a heterogeneous elastic medium subjected to arbitrary thermal strain field and displacement jumps is presented. The new model is applied to study the effective thermo-elastic properties and average field fluctuations as a function of the interface properties for imperfectly-bonded triaminotrinitrobenzene (TATB) polycrystalline granular aggregates. The proposed formulation is general in the sense that it can be extended to other material systems and deformation regimes that require a proper consideration of the effect of imperfect interface properties on the material's thermo-mechanical response.

36 MATERIALS SCIENCE↗

Biaxial Creep Behavior of Nb-Modified Zircaloys

Zr-Nb alloys are used as cladding materials to encapsulate radioactive fuel in nuclear reactors. They possess excellent corrosion resistance at high temperatures making it possible to achieve high fuel burn-up directly increasing the thermal efficiency of the reactor. While they are commonly used in recrystallized (Rx) form in boiling water reactors, there is a need to understand the effect of cold work and stress relief (CWSR) on biaxial creep characteristics of these materials due to their use in pressurized water reactors. In this study, the biaxial creep behaviors of as-received Zr-Nb alloys, HANA and Zirlo, have been investigated at 500 and 400 0C respectively using internally pressurized tubing superimposed with axial load under varied hoop (s?) to axial (sz) stress ratios of 0 to 2 while monitoring both the axial and hoop strains using an LVDT and a laser telemetric extensometer respectively. The crystallographic textures and creep loci of these as-received Zr-Nb alloys have been evaluated to correlate with the previous studies on recrystallized HANA4 and CWSR Zircaloy-4. The creep locus of HANA4 was found to be unaffected by initial state (CWSR or Rx) and showed close correspondence to planar isotropy while the creep locus of CWSR Zirlo exhibited more resistance to axial deformation than diametrical as per CWSR Zircaloy4 reported earlier. These differences are shown to arise from grain shape anisotropy of CWSR Zirlo and Zircaloy4. The simulated creep loci using crystallite orientation distribution functions (CODFs) in conjunction with prism slip models, showed excellent agreement with experimental results.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Windowed Fourier transform and cross-correlation algorithms for molecular tagging velocimetry

In this study, simulated and experimental molecular tagging velocimetry (MTV) images have been analyzed with a technique commonly used to process grid images on surfaces, the windowed Fourier transform with local spectrum analysis (WFT-LSA). A systematic synthetic image study of the modulation transfer function (MTF) and error tendencies of the WFT-LSA was performed and compared with a PIV-style cross-correlation algorithm to see if advanced strategies such as iterative image deformation can improve analysis of gridded images with high noise levels. Testing of single-pass algorithms showed that in typical MTV images, the WFT-LSA yields significantly lower bias errors than cross-correlation (CC) at displacements greater than 1 pixel but slightly higher random error at all displacements and image conditions. Analysis of the MTF shows that CC provided better resolution of spatial fluctuations than the WFT-LSA in many combinations of grid size and interrogation window. Tests of image deformation algorithms showed that the gap in performance between CC and WFT-LSA is maintained even as both methods improve. Additionally, WFT-LSA and CC methods are applied to real MTV experiments in high-speed gas jet flows. A preliminary analysis of phosphorescence lifetime provided by acetone vapor excited at 266 nm is used for assessing the required gas speeds for making MTV application feasible. The application of WFT-LSA to real MTV images demonstrates the ability of the algorithm to handle further real-world effects that could not be considered in the synthetic image analysis, like reduced signal-to-noise ratio and non-uniform intensity of the tagging grid across the image introduced by the actual laser beam energy distribution. With experimental images, CC is more accurate with shear flows but less robust to high noise levels than WFT-LSA, as predicted by the synthetic image analysis.

42 ENGINEERING↗

α -decay energies of superheavy nuclei: Systematic trends

Background: New superheavy nuclei are often identified through their characteristic α -decay energies, which requires accurate calculations of Q α values. While many Q α predictions are available, little is known about their uncertainties, and this makes it difficult to carry out extrapolations to as-yet-unknown systems. Purpose: This work aims to analyze several models, compare their predictions to available experimental data, and study their performance for the unobserved α-decay chains of 296 120 and 298 120, which are of current experimental interest. Our quantified results will also serve as a benchmark for future, more sophisticated statistical studies. Methods: We use nuclear superfluid density functional theory (DFT) with several Skyrme energy density functionals (EDFs). To estimate systematic model uncertainties, we employ uniform model averaging. Results: We investigated the Q α values for even-even nuclei from Fm to Z = 120 . For well-deformed nuclei between Fm and Ds, we find excellent consistency between different model predictions, and a good agreement with experimental results. For transitional nuclei beyond Ds, intermodel differences grow, resulting in an appreciable systematic error. In particular, our models underestimate Q α for the heaviest nucleus 294 Og. Conclusions The robustness of DFT predictions for well-deformed superheavy nuclei supports the idea of using experimental Q α values, together with theoretical predictions, as reasonable ( Z, A ) indicators. Unfortunately, this identification method is not projected to work well in the region of deformed-to-spherical shape transition as one approaches N = 184 . The use of Q α values in the identification of new superheavy nuclei will benefit greatly from progress in developing both new spectroscopic-quality EDFs and more sophisticated statistical techniques of uncertainty quantification.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Finite Element Analysis (FEA) for Water-Foam Fracturing of Granite Rock

In addition to the foam data that were obtained from literature and that were collected from the current study, simulation data was also generated from finite element analysis (FEA) conducted in this study using COMSOL Multiphysics software. The FEA models were built to simulate the experiments conducted at Oak Ridge National Laboratory (ORNL) on cement and granite samples. In these FEA models, temperature was kept at ambient while the pressure profile resembled the loading conditions during the ORNL experiments, where pressure was either monotonically increased or applied cyclically. The cement material was used as a model material and was used to study Von Mises stress and tensile stress distribution for different bore hole length geometry using a parametric sweep with water as fracturing fluid using solid-fluid interaction module. For the granite material, FEA models were developed for stress analysis of cylindrical samples with water or foam fluids. The solid mechanics module in COMSOL was implemented to solve for Von Mises stress and tensile stress. The fluid-structure interaction module was implemented to solve for water-foam interaction on granite cylinder with addition of fluid-loading on structure, i.e., large deformation in solid mechanics with no impact on fluid deformation. Foam was considered as a pseudo single-phase compressible fluid for which material properties were calculated from water and gas (nitrogen) phases. The density of foam is calculated as a function of the densities of water and nitrogen, while viscosity is a function of temperature. Four types of FEA analyses were modelled: 1. Monotonic injection with water 2. Monotonic injection with foam 3. Cyclic injection with water 4. Cyclic injection with foam All the COMSOL files are converted to a zip file which is save in .mph.

15 GEOTHERMAL ENERGY↗

Feasibility Assessment of an EVA Glove Sensing Platform to Evaluate Potential Hand Injury Risk Factors

Injuries to the hands are common among astronauts who train for extravehicular activity (EVA). When the gloves are pressurized, they restrict movement and create pressure points during tasks, sometimes resulting in pain, muscle fatigue, abrasions, and occasionally more severe injuries such as onycholysis. A brief review of the Lifetime Surveillance of Astronaut Health's injury database reveals that 58% of total astronaut hand and arm injuries from NBL training between 1993 and 2010 occurred either to the fingernail, MCP, or fingertip. The purpose of this study was to assess the potential of using small sensors to measure force acting on the fingers and hand within pressurized gloves and other variables such as blood perfusion, skin temperature, humidity, fingernail strain, skin moisture, among others. Tasks were performed gloved and ungloved in a pressurizable glove box. The test demonstrated that fingernails saw greater transverse strain levels for tension or compression than for longitudinal strain, even during axial fingertip loading. Blood perfusion peaked and dropped as the finger deformed during finger presses, indicating an initial dispersion and decrease of blood perfusion levels. Force sensitive resistors to force plate comparisons showed similar force curve patterns as fingers were depressed, indicating suitable functionality for future testing. Strategies for proper placement and protection of these sensors for ideal data collection and longevity through the test session were developed and will be implemented going forward for future testing.

Reid, Christopher R.↗

Coupling Microstructural Evolution Simulations to Material Property Degradation Predictions for Plasma-Facing Materials

Reliable material performance is required for plasma-facing material (PFM) candidates. Previous research has shown that plasma and neutron radiation exposure induces microstructural changes in PFMs; changes in thermal and electrical conductivities and in material hardening and embrittlement were also observed after neutron irradiation. These material property changes will negatively impact the performance of the PFMs in a fusion reactor. Despite the well-known connection between material microstructure, properties, and performance, there is a need for validated modeling capabilities connecting PFM property degradation with microstructural evolution under fusion-relevant conditions. We are developing a simulation capability to couple plasma-induced microstructural evolution to material property degradation. Our approach relies on deliberate mapping between individual simulation models and experimental characterization for validation. The open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) software was used for this simulation capability development. A MOOSE phase-field model was coupled with the cluster dynamics code, Xolotl, to predict microstructural evolution. Microstructure characterization techniques, including scanning electron microscopy (SEM), transmission electron microscopy (TEM), and laser scanning confocal microscopy (LSCM) are used to validate these microstructural evolution simulations. Calculation of thermal and electrical conductivities with first principles simulations was performed for bulk material and for grain boundaries; these results are used within MOOSE models to calculate effective thermal and electrical conductivities as a function of grain characteristics. Thermoreflectance and four-probe techniques were employed to measure the thermal and electrical conductivities, respectively. A MOOSE crystal plasticity model was adapted to predict microstructure-sensitive deformation behavior, and X-ray diffraction (XRD) was used to collect bulk dislocation density data for validation. After individual simulation validation, these models are coupled to predict material property changes resulting from plasma exposure. We focused here on an experimental design to emphasize the separate effects of moderate thermal loads and plasma exposure using tungsten. Annealing of tungsten was performed under a protective environment for temperatures ranging from 500 C to 1500 C. The plasma exposure was completed in the Tritium Plasma Experiment at Idaho National Laboratory under a deuterium flux of 1e22 D/m^2-s. This incremental approach is employed to build confidence in the modeling capability: separate-effects tests ensure that the models capture key mechanisms from single environmental conditions before predicting PFM property degradation under combined loads. We will show our early results from coupling these simulation models to predict PFM property changes from microstructural evolution. Comparisons of the simulation results with preliminary validation data will be discussed.

36 - MATERIALS SCIENCE↗

Connect microstructure evolution to property degradation with validated simulation

Reliable material performance is required for plasma-facing material (PFM) candidates. Previous research has shown that plasma and neutron radiation exposure induces microstructural changes in PFMs; changes in thermal and electrical conductivities and in material hardening and embrittlement were also observed after neutron irradiation. These material property changes will negatively impact the performance of the PFMs in a fusion reactor. Despite the well-known connection between material microstructure, properties, and performance, there is a need for validated modeling capabilities connecting PFM property degradation with microstructural evolution under fusion-relevant conditions. We are developing a simulation capability to couple plasma-induced microstructural evolution to material property degradation. Our approach relies on deliberate mapping between individual simulation models and experimental characterization for validation. The open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) software was used for this simulation capability development. A MOOSE phase-field model was coupled with the cluster dynamics code, Xolotl, to predict microstructural evolution. Microstructure characterization techniques, including scanning electron microscopy (SEM), transmission electron microscopy (TEM), and laser scanning confocal microscopy (LSCM) are used to validate these microstructural evolution simulations. Calculation of thermal and electrical conductivities with first principles simulations was performed for bulk material and for grain boundaries; these results are used within MOOSE models to calculate effective thermal and electrical conductivities as a function of grain characteristics. Thermoreflectance and four-probe techniques were employed to measure the thermal and electrical conductivities, respectively. A MOOSE crystal plasticity model was adapted to predict microstructure-sensitive deformation behavior, and X-ray diffraction (XRD) was used to collect bulk dislocation density data for validation. After individual simulation validation, these models are coupled to predict material property changes resulting from plasma exposure. We focused here on an experimental design to emphasize the separate effects of moderate thermal loads and plasma exposure using tungsten. Annealing of tungsten was performed under a protective environment for temperatures ranging from 500$^o$C to 1500$^o$C. The plasma exposure was completed in the Tritium Plasma Experiment at Idaho National Laboratory under a deuterium flux of 1e22 $\frac{D}{m^2s}$. This incremental approach is employed to build confidence in the modeling capability: separate-effects tests ensure that the models capture key mechanisms from single environmental conditions before predicting PFM property degradation under combined loads. We will show our early results from coupling these simulation models to predict PFM property changes from microstructural evolution. Comparisons of the simulation results with preliminary validation data will be discussed.

36 - MATERIALS SCIENCE↗

Understanding Twinning and Deformation in High Entropy Alloys

On the one hand, multi-principal element alloys (MPEAs) have created a paradigm shift in alloy design due to large compositional space, whereas on the other, they have presented enormous computational challenges for theory-based materials design, especially density functional theory (DFT), which is inherently computationally expensive even for traditional dilute alloys. In this project, we developed a machine learning framework, namely PREDICT ( PR edict properties from E xisting D atabase I n C omplex alloys T erritory), that opens a pathway to predict elastic constants in large compositional space with little computational expense. The framework only relies on the DFT database of binary alloys and predicts Voigt–Reuss–Hill Young’s modulus, shear modulus, bulk modulus, elastic constants, and Poisson’s ratio in MPEAs. We show that the key descriptors of elastic constants are the A–B bond length and cohesive energy. The framework can predict elastic constants in hypothetical compositions as long as the constituent elements are present in the database, thereby enabling property exploration in multi-compositional systems. We illustrate predictions in a FCC Ni-Cu-Au-Pd-Pt system.

36 MATERIALS SCIENCE↗