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DOE OSTI2021

Assessing the ASME Section III, Division 5, Class A Primary Load Design Rules Against Creep Notch Effects

This report assesses the ASME Section III, Division 5, Subsection HB, Subpart B rules covering the design and construction of high temperature Class A nuclear reactor components for their robustness against creep notch effects. The creep notch effect combines the effect of multiaxial stresses on material creep deformation and damage. This report considers both effects, including the potential for creep mechanism shifts affecting the extrapolation of design data from high stress, short-time experimental data to low stress, long time operating component conditions. The report summarizes the history of and literature on multiaxial creep and surveys the current ASME design rules dealing with multiaxial effects. The report then describes the results of two dedicated numerical studies, one assessing the robustness of the ASME rules against uncertainty in extrapolating from uniaxial creep test data to multiaxial component conditions and a second study examining the potential effects of a mechanism shift from high stress, dislocation-mediated creep to diffusion-dominated creep at lower stresses. The final conclusion of the report is that the ASME rules adequately guard against multiaxial creep failure, though there are several aspects of the Code that could be optimized to provide less over-conservative design predictions or to provide a more consistent design margin as a function of temperature and stress. In a few areas, particularly the potential for mechanism shifts outside the currently-available experimental data, the Code rules should be revaluated as additional experimental data and new modeling and simulation results become available

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2014

WE-G-BRD-07: Investigation of Distal Lung Atelectasis Following Stereotactic Body Radiation Therapy Using Regional Lung Volume Changes Between Pre- and Post- Treatment CT Scans

Purpose: To propose a quantitative method using lung deformations to differentiate between radiation-induced fibrosis and potential airway stenosis with distal atelectasis in patients treated with stereotactic body radiation therapy (SBRT) for lung tumors. Methods: Twenty-four lung patients with large radiation-induced density increases outside the high dose region had their pre- and post-treatment CT scans manually registered. They received SBRT treatments at our institution between 2002 and 2009 in 3 or 5 fractions, to a median total dose of 54Gy (range, 30–60). At least 50 anatomical landmarks inside the lung (airway branches) were paired for the pre- and post-treatment scans to guide the deformable registration of the lung structure, which was then interpolated to the whole lung using splines. Local volume changes between the planning and follow-up scans were calculated using the deformation field Jacobian. Hyperdense regions were classified as atelectatic or fibrotic based on correlations between regional density increases and significant volume contractions compared to the surrounding tissues. Results: Out of 24 patients, only 7 demonstrated a volume contraction that was at least one σ larger than the remaining lung average. Because they did not receive high doses, these shrunk hyperdense regions were likely showing distal atelectasis resulting from radiation-induced airway stenosis rather than conventional fibrosis. On average, the hyperdense regions extended 9.2 cm farther than the GTV contours but not significantly more than 8.6 cm for the other patients (p>0.05), indicating that a large offset between the radiation and hyperdense region centers is not a good surrogate for atelectasis. Conclusion: A method based on the relative comparison of volume changes between different dates was developed to identify potential lung regions experiencing distal atelectasis. Such a tool is essential to study which lung structures need to be avoided to prevent atelectasis and limit lung function loss.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

A study of electroactive polyvinyl chloride (PVC) gel actuators through the use of the electric modulus formalism and cyclic linear voltage sweeps

The conductivity and dielectric properties are integral to the function of polyvinyl chloride (PVC) gel actuators. The frequency-dependent properties of PVC gel actuators are investigated here in terms of their impedance, permittivity, and for the first time, electric modulus. The data shows that PVC gels’ conductive properties are just as, if not more, important as their dielectric properties in electromechanical transduction applications. The electrode polarization (EP) and its impact on the impedance and dielectric spectra of PVC gels, as well as the developed asymmetric space charge at the anode, are discussed. The electric modulus and tan δ spectra are used for the fitting of Cole-Cole (CC) and Debye relaxation models for gels of varying plasticizer content. The electrostatic adhesive force for PVC gels of varying plasticizer is also measured, indicating large electrostatic adhesion (>2 N cm -2 ). A cyclic linear voltage sweep is used to clarify the dynamics of space charge within the gels. The peak current (associated with space charge development) is seen to be concurrent with the onset of mechanical deformation, showing the asymmetric charge as the origin of electromechanical transduction. Additionally, the maximum charge transferred (as measured by the integration of current over time) before space charge development is found to correlate with the electrostatic adhesive force measured for the gels, pointing to a new method of characterizing PVC gels for actuation.

Instruments & Instrumentation↗

DOE OSTI2019

Preparation of silver nanoparticle functionalized polyamide fibers with antimicrobial activity and electrical conductivity

ABSTRACT In this work, silver nanoparticle functionalized polyamide 6 (PA6) fibers were prepared using the electroless plating method. The surface of PA6 fibers was modified by exploiting dopamine/CuSO 4 /H 2 O 2 system prior to electroless plating to enhance the bonding force between the fiber and the silver nanoparticles. It was found that both the formation rate and the chemical stability of polydopamine (PDA) coatings on the PA6 fiber surface were improved by the introduction of CuSO 4 /H 2 O 2 . The results confirmed the successful deposition of silver nanoparticles on PA6 fiber surface and the average particle diameter of 223 nm. Compared with uncoated fibers, the silver plated PA6 fibers exhibited excellent antimicrobial activity to both Escherichia coli and Staphylococcus aureus (with an antimicrobial efficiency of 99.9% and 100%, respectively). The electrical resistance of the silver coated PA6 fibers reached 0.98 Ω over a length of 1 cm, indicating a good electrical conductivity. In particular, coating durability of the formed silver layer was investigated by subjecting the fibers to various mechanical deformations, and the results showed that the formed silver layer was maintained well after 50 times of cyclic stretching at a constant displacement of 10 mm. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 136 , 47584.

Jiang, Liang↗

DOE OSTI2021

External-Field-Induced Phase Transformation and Associated Properties in a Ni 50 Mn 34 Fe 3 In 13 Metamagnetic Shape Memory Wire

Metamagnetic shape memory alloys exhibit a series of intriguing multifunctional properties and have great potential for applications in magnetic actuation, sensing and magnetic refrigeration. However, the poor mechanical properties of these alloys with hardly any tensile deformability seriously limit their practical application. In the present work, we developed a Ni-Fe-Mn-In microwire that exhibits both a giant, tensile superelasticity and a magnetic-field-induced first-order phase transformation. The recoverable strain of superelasticity is more than 20% in the temperature range of 233–283 K, which is the highest recoverable strain reported heretofore in Ni-Mn-based shape memory alloys (SMAs). Moreover, the present microwire exhibits a large shape memory effect with a recoverable strain of up to 13.9% under the constant tensile stress of 225 MPa. As a result of the magnetic-field-induced first-order phase transformation, a large reversible magnetocaloric effect with an isothermal entropy change ΔS m of 15.1 J kg –1 K –1 for a field change from 0.2 T to 5 T was achieved in this microwire. The realization of both magnetic-field and tensile-stress-induced transformations confers on this microwire great potential for application in miniature multi-functional devices and provides an opportunity for multi-functional property optimization under coupled multiple fields.

36 MATERIALS SCIENCE↗

DOE OSTI2021

A duality-based coupling of Cosserat crystal plasticity and phase field theories for modeling grain refinement

High-rate deformation processes of metals entail intense grain refinement and special attention needs to be paid to capture the evolution of microstructure. In this article, a new formulation for coupling Cosserat crystal plasticity and phase field is developed. A common approach is to penalize kinematic incompatibility between lattice orientation and displacement-based elastic rotation. However, this can lead to significant solution sensitivity to the penalty parameter, resulting in low accuracy and convergence rates. To address these issues, a duality-based formulation is developed which directly imposes the rotational kinematic compatibility. A weak inf-sup-based skew-symmetric stress projection is introduced to suppress instabilities present in the dual formulation. An additional least squares stabilization is introduced to suppress the spurious lattice rotation with a suitable parameter range derived analytically and validated numerically. The required high-order continuity is attained by the reproducing kernel approximation. It is observed that equal order displacement-rotation-phase field approximations are stable, which allows efficient employment of the same set of shape functions for all independent variables. The proposed formulation is shown to yield superior accuracy and convergence with marginal parameter sensitivity compared to the penalty-based approach and successfully captures the dominant rotational recrystallization mechanism including block dislocation structures and grain boundary migration.

42 ENGINEERING↗

DOE OSTI2017

Optically-based Sensor System for Critical Nuclear Facilities Post-Event Seismic Structural Assessment

The U.S. Department of Energy (DOE) has ownership and operational responsibility for a large enterprise of nuclear facilities that provide essential functions to DOE missions ranging from national security to discovery science and energy research. These facilities support a number of DOE programs and offices including the National Nuclear Security Administration, Office of Science, and Office of Environmental Management. With many unique and “one of a kind” functions, these facilities represent a tremendous national investment, and assuring their safety and integrity is fundamental to the success of a breadth of DOE programs. Many DOE critical facilities are located in regions with significant natural phenomenon hazards including major earthquakes and DOE has been a leader in developing standards for the seismic analysis of nuclear facilities. Attaining and sustaining excellence in nuclear facility design and management must be a core competency of the DOE. An important part of nuclear facility management is the ability to monitor facilities and rapidly assess the response and integrity of the facilities after any major upset event. Experience in the western U.S. has shown that understanding facility integrity after a major earthquake is a significant challenge which, lacking key data, can require extensive effort and significant time. In the work described in the attached report, a transformational approach to earthquake monitoring of facilities is described and demonstrated. An entirely new type of optically-based sensor that can directly and accurately measure the earthquake-induced deformations of a critical facility has been developed and tested. This report summarizes large-scale shake table testing of the sensor concept on a representative steel frame building structure, and provides quantitative data on the accuracy of the sensor measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

An Accelerated Creep Testing Program For Nickel Based Superalloys

In order to improve the energy production within the United States, new materials are developed with the goal of increased functionality. These materials are required to perform at extreme pressures and temperatures (up to and beyond 200MPa and 650â??) as well as be sustainable beyond 105 hours. Before developing these materials into components for power generation, mechanical testing is required to better understand the behavior of these materials at various loads and temperatures. The longest of these tests is the conventional creep test which is a real time test that can beyond 105 hours depending on service conditions. Hundreds of specimens must be tested before being approved for use in power generation, but it is extremely difficult to rapidly qualify when each material is required to exceed 105 hours making testing through conventional means unfeasible. While others have designed accelerated testing methods to help qualify materials, many of these experiments use an empirical approach that requires test data to fit already existing creep data. In this study, an accelerated creep test called the stepped isostress method (SSM) is then applied to wrought Inconel 718 (IN 718) specimens. A test matrix is designed using deformation mechanism maps, time-temperature-transformation diagrams, and time-temperature-precipitation diagrams, in order to ensure that microstructurally, the accelerated creep tests fail similarly to the conventional creep tests. The data from the stepped isostress method is then applied to the McVetty and Sin-hyperbolic (Sinh) constitutive models in order to generate a creep master curve. The results from the model fits are then compared to the conventional creep data done from experiments as well as from the NIMS database for Inconel 718. Optical microscopy and scanning electron microscopy are used to compare the evolution of the microstructure from the conventional creep and accelerated creep tests. It is found that using the Sinh model on the accelerated creep data provides reasonable creep rupture predictions when compared to the scatter band of creep tests. It was also observed that the microstructural evolution between the SSM experiments and creep tests were very similar in terms of the volume fraction of precipitates and phases.

Mach, Robert↗

DOE OSTI2013

Extracting strength from high pressure ramp-release experiments

Unloading from a plastically deformed state has long been recognized as a sensitive measure of a material's deviatoric response. In the case of a ramp compression and unload, time resolved particle velocity measurements of a sample/window interface may be used to gain insight into the sample material's strength. Unfortunately, measurements of this type are often highly perturbed by wave interactions associated with impedance mismatches. Additionally, wave attenuation, the finite pressure range over which the material elastically unloads, and rate effects further complicate the analysis. Here, we present a methodology that overcomes these shortcomings to accurately calculate a mean shear stress near peak compression for experiments of this type. A new interpretation of the self-consistent strength analysis is presented and then validated through the analysis of synthetic data sets on tantalum to 250 GPa. The synthetic analyses suggest that the calculated shear stresses are within 3% of the simulated values obtained using both rate-dependent and rate-independent constitutive models. Window effects are addressed by a new technique referred to as the transfer function approach, where numerical simulations are used to define a mapping to transform the experimental measurements to in situ velocities. The transfer function represents a robust methodology to account for complex wave interactions and a dramatic improvement over the incremental impedance matching methods traditionally used. The technique is validated using experiments performed on both lithium fluoride and tantalum ramp compressed to peak stresses of 10 and 15 GPa, respectively. In each case, various windows of different shock impedance are used to ensure consistency within the transfer function analysis. The data are found to be independent of the window used and in good agreement with previous results.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2013

Measurement of the forming limit stress curve using a multi-axial tube expansion test with a digital image correlation system

A servo-controlled tension-internal pressure testing machine with an optical 3D deformation analysis system (ARAMIS) was used to measure the multi-axial plastic deformation behavior of a high-strength steel sheet for a range of strain from initial yield to fracture. The testing machine is capable of applying arbitrary principal stress or strain paths to a tubular specimen using an electrical, closed-loop servo-control system for axial force and internal pressure. Tubular specimens with an inner diameter of 44.6 mm were fabricated from a high-strength steel sheet with a tensile strength of 590 MPa and a thickness of 1.2 mm by roller bending and laser welding. Several linear and non-linear stress paths in the first quadrant of the stress space were applied to the tubular specimens in order to measure the forming limit curve (FLC) and forming limit stress curve (FLSC) of the as-received test material, in addition to the contours of plastic work and the directions of plastic strain rates. The contours of plastic work and the directions of plastic strain rates measured for the linear stress path experiments were compared with those calculated using selected yield functions in order to identify the most appropriate yield function for the test material. Moreover, a Marciniak-Kuczyński type (M-K) forming limit analysis was performed using the most appropriate yield function. The calculated and measured FLC and FLSC were compared in order to validate the M-K approach. The path-dependence of the FLC and FLSC was also investigated.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

The universal suppressor mutation restores membrane budding defects in the HSV-1 nuclear egress complex by stabilizing the oligomeric lattice

Nuclear egress is an essential process in herpesvirus replication whereby nascent capsids translocate from the nucleus to the cytoplasm. This initial step of nuclear egress–budding at the inner nuclear membrane–is coordinated by the nuclear egress complex (NEC). Composed of the viral proteins UL31 and UL34, NEC deforms the membrane around the capsid as the latter buds into the perinuclear space. NEC oligomerization into a hexagonal membrane-bound lattice is essential for budding because NEC mutants designed to perturb lattice interfaces reduce its budding ability. Previously, we identified an NEC suppressor mutation capable of restoring budding to a mutant with a weakened hexagonal lattice. Using an established in-vitro budding assay and HSV-1 infected cell experiments, we show that the suppressor mutation can restore budding to a broad range of budding-deficient NEC mutants thereby acting as a universal suppressor. Cryogenic electron tomography of the suppressor NEC mutant lattice revealed a hexagonal lattice reminiscent of wild-type NEC lattice instead of an alternative lattice. Further investigation using x-ray crystallography showed that the suppressor mutation promoted the formation of new contacts between the NEC hexamers that, ostensibly, stabilized the hexagonal lattice. This stabilization strategy is powerful enough to override the otherwise deleterious effects of mutations that destabilize the NEC lattice by different mechanisms, resulting in a functional NEC hexagonal lattice and restoration of membrane budding.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2018

Computational Design of an Iron Catalyst for Olefin Metathesis

Olefin metathesis is a versatile reaction in synthetic chemistry. The use of iron compounds as olefin metathesis catalysts has attracted interest but has not succeeded because most Fe complexes catalyze cyclopropanation reactions preferentially to cycloreversion, which is a key step in the metathesis reaction cycle. In the present study, we performed density functional theory calculations to study the catalytic effect of ancillary pincer ligands in an Fe organometallic catalyst for olefin metathesis. We show here that the partial atomic charge on Fe in the metallocyclobutane intermediate is a descriptor for the tendency of the Fe complex to favor olefin metathesis over cyclopropanation. The results suggest that the pincer ligands can decrease the partial atomic charge on the Fe ion and that decreasing this charge can make the desired cycloreversion reaction more energetically favorable than the cyclopropanation side reaction. In this way, we found that the Fe carbene stabilized by N-heterocyclic dicarbene ligands (Fe(C–N–C)(=CHCH3), where C–N–C denotes 2,6-bis(methylimidazol-2-ylidene)pyridine), is a potential candidate for catalyzing the olefin metathesis reaction. We then calculated the whole catalytic cycle for the propylene metathesis reaction catalyzed by the Fe(C–N–C) carbene, and the results indicate that the cyclopropanation reaction is disfavored by ~4 kcal/mol. We verified the stability of the proposed Fe(C–N–C) catalyst by considering two possible deformation pathways: the transformation of the carbene ligand to a coordinated alkene molecule and the formation of a hydride carbyne intermediate followed by the insertion of a propylene molecule. We found that neither deformation pathway is energetically favorable. Finally we propose a viable route to synthesize the Fe(C–N–C) carbene complex by utilizing the already available Fe(N 2 ) 2 complex stabilized by an N-heterocyclic dicarbene ligand.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Solute drag on perfect and extended dislocations

The drag force exerted on a moving dislocation by a field of mobile solutes is studied in the steady state. The drag force is numerically calculated as a function of the dislocation velocity for both perfect and extended dislocations. The sensitivity of the non-dimensionalized force–velocity curve to the various controlling parameters is assessed, and an approximate analytical force–velocity expression is given. A non-dimensional parameter S characterizing the strength of the solute-dislocation interaction, the background solute fraction , and the dislocation character angle , are found to have the strongest influence on the force–velocity curve. Within the model considered here, a perfect screw dislocation experiences no solute drag, but an extended screw dislocation experiences a non-zero drag force that is about 10 to 30% of the drag on an extended edge dislocation. The solutes can change the spacing between the Shockley partials in both stationary and moving extended dislocations, even when the stacking fault energy remains unaltered. Under certain conditions, the solutes destabilize an extended dislocation by either collapsing it into a perfect dislocation or causing the partials to separate unboundedly. It is proposed that the latter instability may lead to the formation of large faulted areas and deformation twins in low stacking fault energy materials containing solutes, consistent with experimental observations of copper and stainless steel containing hydrogen.

42 ENGINEERING↗

DOE OSTI2019

Squeezed Nanocrystals: Equilibrium Configuration of Metal Clusters Embedded Beneath the Surface of a Layered Material

Shapes of functional metallic nanocrystals, typically synthesized either free in solution or supported on surfaces, are key for controlling properties. Here, we consider a novel new class of metallic nanocrystals, copper clusters embedded near the surface of graphite, which can be considered a model system for metals embedded beneath surfaces of layered materials, or beneath supported membranes. We develop a continuum elasticity (CE) model for the equilibrium shape of these islands, and compare its predictions with experimental data. The CE model incorporates appropriate surface energy, adhesion energies, and strain energy. The agreement between the CE model and the data is—with one exception—excellent, both qualitatively and quantitatively, and is achieved with a single adjustable parameter. The model predicts that the embedded island shape is invariant with size, manifest both by constant side slope and by constant aspect ratio. This prediction is rationalized by dimensional analysis of the relevant energetic contributions. The aspect ratio of an embedded Cu cluster is much larger than that of a supported but non-embedded Cu cluster, due to resistance of the graphene membrane to deformation. Experimental data diverge from the model predictions only in the case of the aspect ratio of small islands, below a critical height of ~10 nm. The divergence may be due to bending strain, which is treated only approximately in the model. Strong support for the CE model and its interpretation is provided by additional data for embedded Fe clusters. Most of these observations and insights should be generally applicable to systems where a metal cluster is embedded beneath a layered material or supported membrane, provided that shape equilibration is possible.

Julien, Scott↗

DOE OSTI2013

Mechanism of Preferential Adsorption of SO 2 into Two Microporous Paddle Wheel Frameworks M(bdc)(ted) 0.5

The adsorption of a corrosive gas, SO 2 , into microporous pillared paddle-wheel frameworks M(bdc)(ted) 0.5 [M = Ni, , Zn; bdc = 1,4-benzenedicarboxylate; ted=triethylenediamine] is studied by volumetric adsorption measurements and a combination of in-situ infrared spectroscopy and ab initio density functional theory (DFT) calculations. The uptake of SO 2 in M(bdc)(ted) 0.5 at room temperature is quite significant, 9.966 mol kg -1 (63.8%) at room temperature/1.132 bar, which represents the highest SO 2 uptake so far observed. Two different adsorption species are identified by infrared spectroscopy: one is typical physisorbed SO 2 species, characterized by a modest red shift of S-O stretching bands (36 cm -1 for νas and 7 cm -1 for νs); the other characterized by adsorption bands at 1242 and 1105cm -1 and by a much higher (~150°C) temperature to completely remove. Theoretical calculations including van der Waals interactions (based on vdW-DF) indicate that the adsorption geometry of SO 2 involves one molecule bonding of its sulfur atom to the oxygen atom of the paddle-wheel building unit and its two oxygen atoms to the C-H groups of the organic linkers by formation of hydrogen bonds. Such a configuration results in a large distortion of benzene rings, which is consistent with the experimentally observed shift of the ring deformation mode. The simulated frequency shift of the SO 2 stretching bands by vdW-DF is in excellent agreement with spectroscopically measured value of physisorbed SO 2 . The IR absorptions at 1242 and 1105 cm -1 also suggest a stronger adsorption configuration, previously observed in SO 4 -like species involving two oxygen atoms of the paddle wheel building units. The adsorption configurations of SO 2 into M(bdc)(ted) 0.5 derived by infrared spectroscopy and vdW-DF calculations provide the understanding necessary to develop industrial processes for SO 2 removal using microporous paddle-wheel frameworks materials.

Tan, Kui↗

DOE OSTI2016

Ba-filled Ni–Sb–Sn based skutterudites with anomalously high lattice thermal conductivity

Here, in this study, novel filled skutterudites Ba y Ni 4 Sb 12-x Sn x (y max = 0.93) have been prepared by arc melting followed by annealing at 250, 350 and 450°C up to 30 days in vacuum-sealed quartz vials. Extension of the homogeneity region, solidus temperatures and structural investigations were performed for the skutterudite phase in the ternary Ni–Sn–Sb and in the quaternary Ba–Ni–Sb–Sn systems. Phase equilibria in the Ni–Sn–Sb system at 450°C were established by means of Electron Probe Microanalysis (EPMA) and X-ray Powder Diffraction (XPD). With rather small cages Ni 4 (Sb,Sn) 12 , the Ba–Ni–Sn–Sb skutterudite system is perfectly suited to study the influence of filler atoms on the phonon thermal conductivity. Single-phase samples with the composition Ni 4 Sb 8.2 Sn 3.8 , Ba 0.42 Ni 4 Sb 8.2 Sn 3.8 and Ba 0.92 Ni 4 Sb 6.7 Sn 5.3 were used to measure their physical properties, i.e. temperature dependent electrical resistivity, Seebeck coefficient and thermal conductivity. The resistivity data demonstrate a crossover from metallic to semiconducting behaviour. The corresponding gap width was extracted from the maxima in the Seebeck coefficient data as a function of temperature. Single crystal X-ray structure analyses at 100, 200 and 300 K revealed the thermal expansion coefficients as well as Einstein and Debye temperatures for Ba 0.73 Ni 4 Sb 8.1 Sn 3.9 and Ba 0.95 Ni 4 Sb 6.1 Sn 5.9 . These data were in accordance with the Debye temperatures obtained from the specific heat (4.4 K < T < 140 K) and Mössbauer spectroscopy (10 K < T < 290 K). Rather small atom displacement parameters for the Ba filler atoms indicate a severe reduction in the “rattling behaviour” consistent with the high levels of lattice thermal conductivity. The elastic moduli, collected from Resonant Ultrasonic Spectroscopy ranged from 100 GPa for Ni 4 Sb 8.2 Sn 3.8 to 116 GPa for Ba 0.92 Ni 4 Sb 6.7 Sn 5.3 . The thermal expansion coefficients were 11.8 × 10 -6 K -1 for Ni 4 Sb 8.2 Sn 3.8 and 13.8 × 10 -6 K -1 for Ba 0.92 Ni 4 Sb 6.7 Sn 5.3 . The room temperature Vickers hardness values vary within the range from 2.6 GPa to 4.7 GPa. Lastly, severe plastic deformation via high-pressure torsion was used to introduce nanostructuring; however, the physical properties before and after HPT showed no significant effect on the materials thermoelectric behaviour.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Energy transfer between a passing vortex ring and a flexible plate in an ideal quiescent fluid

Recent advancements in highly deformable smart materials have lead to increasing interest in small-scale energy harvesting research for powering low consumption electronic devices. One such recent experimental study by Goushcha et al. explored energy harvesting from a passing vortex ring by a cantilevered smart material plate oriented parallel to and offset from the path of the ring in an otherwise quiescent fluid. The present study focuses on modeling this experimental study using potential flow to facilitate optimization of the energy extraction from the passing ring to raise the energy harvesting potential of the device. The problem is modeled in two-dimensions with the vortex ring represented as a pair of counter-rotating free vortices. Vortex pair parameters are determined to match the convection speed of the ring in the experiments, as well as the imposed pressure loading on the plate. The plate is approximated as a Kirchhoff-Love plate and represented as a finite length vortex sheet in the fluid domain. The analytical model matches experimental measurements, including the tip displacement, the integrated force along the entire plate length as a function of vortex ring position, and the pressure along the plate. The potential flow solution is employed in a parametric study of the governing dimensionless parameters in an effort to guide the selection of plate properties for optimal energy harvesting performance. Results of the study indicate an optimal set of plate properties for a given vortex ring configuration, in which the time-scale of vortex advection matches that of the plate vibration.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Thermal conductivity of tungsten: Effects of plasma-related structural defects from molecular-dynamics simulations

We report results on the lattice thermal conductivities of tungsten single crystals containing nanoscale-sized pores or voids and helium (He) nanobubbles as a function of void/bubble size and gas pressure in the He bubbles based on molecular-dynamics simulations. For reference, we calculated lattice thermal conductivities of perfect tungsten single crystals along different crystallographic directions at room temperature and found them to be about 10% of the overall thermal conductivity of tungsten with a weak dependence on the heat flux direction. The presence of nanoscale voids in the crystal causes a significant reduction in its lattice thermal conductivity, which decreases with increasing void size. Filling the voids with He to form He nanobubbles and increasing the bubble pressure leads to further significant reduction of the tungsten lattice thermal conductivity, down to ~20% of that of the perfect crystal. The anisotropy in heat conduction remains weak for tungsten single crystals containing nanoscale-sized voids and He nanobubbles throughout the pressure range examined. Analysis of the pressure and atomic displacement fields in the crystalline region that surrounds the He nanobubbles reveals that the significant reduction of tungsten lattice thermal conductivity in this region is due to phonon scattering from the nanobubbles, as well as lattice deformation around the nanobubbles and formation of lattice imperfections at higher bubble pressure.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗