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At least 37 records · Page 2

Intrinsic Elastic Anisotropy of Westerly Granite Observed by Ultrasound Measurements, Microstructural Investigations, and Neutron Diffraction

Westerly granite (WG) has been generally accepted as an isotropic homogeneous rock. Here, we return to WG and observe significant elastic anisotropy using multidirectional ultrasonic sounding on spherical samples at pressures up to 400 MPa. Thermal treatment of WG leads to formation of microcracks that reduce elastic wave velocities and increase its elastic anisotropy. The 3D distribution of P-wave velocities at low pressure is close to orthorhombic symmetry. Application of hydrostatic pressure closes most of thermally induced microcracks and decreases elastic anisotropy of WG, but at high pressure the anisotropy is practically reversed compared to low pressure: maximum P-wave velocity direction at low pressures is near minimum velocity direction at high pressure and vice versa. To understand this effect, microstructures of the rock were investigated by optical and scanning electron microscopy. Preferred orientations of four major rock-forming minerals—quartz, orthoclase, plagioclase, and biotite—were measured by time-of-flight neutron diffraction, which confirms significant crystal alignment. All these data were used to numerically model anisotropic elastic properties of WG. It is shown that WG possesses weak intrinsic elastic anisotropy related mainly to the preferred orientation of feldspars formed during igneous crystallization. Observed microcracks are mostly related to the cleavage planes of feldspars and biotite, and thus also demonstrate preferred orientation. Higher preheating temperatures produce larger quantity of longer microcracks. A numerical model shows that these microcracks act against the weak intrinsic elastic anisotropy of WG, and define the elastic anisotropy at low pressures.

58 GEOSCIENCES↗

Performance of III–V Solar Cells Grown on Reformed Mesoporous Ge Templates

We demonstrate a solar cell on reformed porous Ge with an efficiency of 7.7%. We generate mesopores in (100) Ge by bipolar electrochemical etching and anneal them at high temperature. The pores coalesce deep in the structure rather than at the surface as desired, although resulting in coarse superficial morphology unsuitable for device growth. To combat this issue, we developed a surface treatment involving an HBr dip, annealing at 415 degrees C, and a postannealing ultrasonic De-ionized water dip to improve the surface structure, resulting in a smoother reformed surface on which we grow a GaInAs solar cell. The structure retains embedded pores after growth and the transitions between Ge and III-V layers are distinct. The solar cell fabricated using the improved coalescence has an efficiency of 4.5%. The efficiency improves to 7.7% by isolating the rest of the device from three limiting localized shunt areas. Protruding defects in the porous Ge and III-V layers still limit the performance, but this work establishes a step toward the technical viability of this exfoliation approach, showing decent efficiency if protruding defects can be removed or reduced.

14 SOLAR ENERGY↗

Numerical Simulation Studies of Ultrasonic De-Icing for Heating, Ventilation, Air Conditioning, and Refrigeration Structures

Ice accumulation on heating, ventilation, air conditioning, and refrigeration (HVACR) structures presents significant operational challenges. These challenges include reduced efficiency, increased energy consumption, and potential damage to equipment. Traditional de-icing methods, such as chemical treatments, mechanical scraping, or heating-based techniques, are often labor-intensive, costly, and environmentally harmful. Here, this study uniquely investigates ultrasonic de-icing as an energy-efficient alternative for HVACR applications, focusing on the specific structural geometries found in these systems. A comprehensive numerical simulation framework was developed using finite element analysis to explore ultrasonic wave propagation across four distinct HVACR structures. Key parameters such as ultrasonic frequency, power levels, and the number and placement of actuators were examined for their impact on ice detachment efficiency. Results from simulations on a plate structure reveal that ultrasonic excitation can propagate effectively across large areas (at least 150 × 150 mm), enhancing the de-icing coverage. Lower frequency (e.g., 30 to 45 kHz) excitation results in greater displacement, improving de-icing performance, while increased actuator numbers with the same total power input also enhance effectiveness. Two actuators seem sufficient for the de-icing of a 300 × 300 mm plate. For tube-and-fin structures, specific high-power ultrasonic frequencies selectively excite the fin plates, demonstrating efficient ice removal when actuated on the tube. However, optimal performance requires careful design of actuator placement and vibration modes to accommodate the irregular shapes of these structures.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Changes in rock matrix compressibility during deep CO 2 storage

Geologic carbon storage projects aim to permanently trap large volumes of CO 2 in reservoir rock sealed with low permeability layers. As high-pressure supercritical or liquid CO 2 is injected, hydromechanical and chemical processes caused by the reaction between the rock and acidic mixture of brine and CO 2 are initiated. The compressibility of reservoir rock needs to be properly characterized in order to assess the deformation and stability of the host formations, and there are a number of factors to be considered, including the matrix structure, solid, pores, and fluid. Here this study triggers from a fundamental question whether CO 2 treatment affects the compressibility of the rock matrix and its dominant composing solid minerals. Three different reservoir representatives are selected: Berea sandstone for silica-rich rock, and Apulian limestone and Indiana limestone for calcite-rich rock. Quartz and calcite are the main composing minerals of the reservoir rock, and their crystals are separately examined. Experimental methods are introduced for high-pressure CO 2 treatment of water-saturated materials, and measurements of the unjacketed and solid compressibilities are conducted. No change in the solid compressibility of the sandstone and quartz after CO 2 treatment is observed, whereas it increases by 18–21% for the limestones and by 15% for calcite. The latter observation is inconsistent with the ultrasonic wave velocities measurements and is believed to be due to the local dissolution of the calcite crystal surface. Our results show that only the solid matrix of the limestones becomes more compressible after CO 2 treatment. Consequent microimaging and mercury intrusion porosimetry analyses allowed observations of dissolution and precipitation of calcite, and creation of new connected and non-connected pores. Finally, the changes in limestone solid compressibilities and pore structure could significantly affect the rock properties and behavior during and after CO 2 injection and should be accounted for in the reservoir models.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Purification of Lithium-Ion Battery Black Mass through Tailored Alkaline Corrosion

Obtaining high-purity material outputs is crucial to the viability of novel process aimed at direct recycling of lithium-ion batteries. Metallic impurities in recycled cathodes have been shown to inhibit performance, thereby threatening mainstream acceptance of recycled battery products. Thus, shredded black mass (BM) must be purified to remove metallic contaminants, and specifically Al and Cu originating from the electrode current collectors. We herein explore a process to ionize solid copper and aluminum to ionic form based on tailored alkaline chemistry, without incurring damage to the target cathode material (Li(NixMnyCo1-x-y)O2; NMC). Al and Cu corrosion may be enhanced through the addition of chloride salt, elevated temperatures, and the use of ultrasonication - all of which disrupt the formation of passivating films on the metallic surface, and thereby increase corrosion rate. We demonstrate optimized parameters for Al and Cu corrosion both from a kinetic and overall process cost perspective. Further, we analyze the impact of these conditions on the structural (XRD, SEM), chemical (EDS, ICP), and electrochemical (impedance, cycling, dQ/dV) properties of NMC, and suggest that the present purification method does not significantly disrupt NMC performance. Finally, we present preliminary results from a promising bench-scale demonstration of this purification process applied to a simulated black mass.

ADVANCED PROPULSION SYSTEMS,ENERGY STORAGE↗

Overcoming the Barriers to Lightweighting by Enabling Low-Cost and High-Performance Structural Automotive Aluminum Castings

The major difference between the secondary and primary Al alloys is the amount of Fe in the alloys - recycling of Al alloys gradually leads to an increase in their Fe content. Thus, many secondary alloys allow up to 0.60% Fe as compared to the primary alloys that use between 0.10% and 0.20% Fe. Unfortunately, in Al alloys with higher iron content, iron-intermetallic phases form that are detrimental to the tensile properties and elongation of the Al castings. For example, in A356 alloys with iron at 0.10%, the ductility achieved is typically 8% whereas for secondary 356 alloys with iron around 0.6%, the ductility achieved is 3% or less. These intermetallic phases cannot be effectively modified with standard casting practices or standard heat treatment. Thus, new techniques need to be developed that can help secondary Al alloys overcome the mechanical property and cost barriers and are the focus of this project. We propose to lower the cost penalty and address mechanical properties issues in Al castings by a two-pronged approach: 1. Use an ultrasonics-based technique to modify the size and distribution of the deleterious intermetallics in the castings during the solidification process; and 2. Use PNNL-developed novel heat-treatment technique to lower the temperature and/or shorten the heat-treatment duration post-solidification processing.

36 MATERIALS SCIENCE↗

Experimental trials of species-specific bat flight responses to an ultrasonic deterrent

Unintended consequences of increasing wind energy production include bat mortalities from wind turbine blade strikes. Ultrasonic deterrents (UDs) have been developed to reduce bat mortalities at wind turbines. Our goal was to experimentally assess the species-specific effectiveness of three emission treatments from the UD developed by NRG Systems. We conducted trials in a flight cage measuring approximately 60 m × 10 m × 4.4 m (length × width × height) from July 2020 to May 2021 in San Marcos, Texas, USA. A single UD was placed at either end of the flight cage, and we randomly selected one for each night of field trials. Trials focused on a red bat species group (Lasiurus borealis and Lasiurus blossevillii; n = 46) and four species: cave myotis (Myotis velifer; n = 57), Brazilian free-tailed bats (Tadarida brasiliensis; n = 73), evening bats (Nycteceius humeralis; n = 53), and tricolored bats (Perimyotis subflavus; n = 17). The trials occurred during three treatment emissions: low (emissions from subarrays at 20, 26, and 32 kHz), high (emissions from subarrays at 38, 44, and 50 kHz), and combined (all six emission frequencies). We placed one wild-captured bat into the flight cage for each trial, which consisted of an acclimation period, a control period with the UD powered off, and the three emission treatments (order randomly selected), each interspersed with a control period. We tracked bat flight using four thermal cameras placed outside the flight cage. We quantified the effectiveness of each treatment by comparing the distances each bat flew from the UD during each treatment vs. the control period using quantile regression. Additionally, we conducted an exploratory analysis of differences between sex and season and sex within season using analysis of variance. Broadly, UDs were effective at altering the bats’ flight paths as they flew farther from the UD during treatments than during controls; however, results varied by species, sex, season, and sex within season. For the red bat group, bats flew farther from the UD during all treatments than during the control period at all percentiles (p < 0.001), and treatments were comparable in effectiveness. For cave myotis, all percentile distances were farther from the UD during each of the treatments than during the control, except the 90th percentile distance during high, and low was most effective. For evening bats and Brazilian free-tailed bats, results were inconsistent, but high and low were most effective, respectively. For tricolored bats, combined and low were significant at the 10th–75th percentiles, high was significant at all percentiles, and combined was most effective. Results suggest UDs may be an effective means of reducing bat mortalities due to wind turbine blade strikes. We recommend that continued research on UDs focus on low emission treatments, which have decreased sound attenuation and demonstrated effectiveness across the bat species evaluated in this study.

17 WIND ENERGY↗

Hierarchical microstructure of Yb-filled skutterudites through ultrasonically atomized spherical powders for enhanced thermoelectric performance

Hierarchical microstructures are widely explored as a strategy to reduce lattice thermal conductivity in thermoelectric materials while preserving favorable electronic transport. Here we demonstrate that ultrasonic atomization of precursor powders provides an intrinsic pathway to generate such architectures in n-type Yb0.3Co4Sb12 skutterudites. Materials were synthesized by both conventional sealed-ampoule and ultrasonic atomization routes, each yielding essentially single-phase skutterudite after densification. However, the atomized spherical powders undergo a distinct reaction-driven microstructural evolution during thermal treatment prior to densification. Electron microscopy reveals that the skutterudite phase within the particles induces swelling, cracking, and fragmentation of the droplets before consolidation. Multimodal structural and microstructural characterizations show that densification of these fragmented powders produces a hierarchical microstructure consisting of submicron grains, micrometer-scale faceted crystallites, and powder-derived domains separated by oxide-decorated boundaries. Comprehensive thermoelectric transport measurements evidence that this multiscale architecture lowers the lattice thermal conductivity while maintaining favorable electronic transport, leading to an average ~10% enhancement in the thermoelectric figure of merit. Complementary 121Sb Mössbauer spectroscopy further indicates lattice softening in the atomized material. These results demonstrate that ultrasonic atomization provides an effective route to engineer hierarchical microstructures in skutterudite thermoelectrics and offers a promising strategy for tailoring thermal transport in energy-conversion materials.

Bouteiller, Hugo [ORNL] (ORCID:0009000421322962)↗

The Importance of Addressing Disagreements Between Nominal and Effective Treatments During Bat Mortality Minimization Validation Studies

As the wind energy industry grows, so too does our need for effective and low-cost bat mortality minimization solutions. Despite knowledge gaps in our understanding of what drives bats to collide with spinning turbines, minimization solutions have shown success during validation studies. Curtailment has been consistently effective, reducing bat mortality from 33%-79%, depending on the curtailment scenario and species present. Several validation studies have demonstrated deterrent solutions, specifically ultrasonic deterrents, to be effective, but overall, more variable compared to curtailment solutions. Further, a study combining curtailment with ultrasonic deterrents produced encouraging results, finding that adding ultrasonic deterrents to turbines that were designated to curtail, significantly reduced mortality rates compared to curtailment only turbines. Despite positive results, the strength of inference achieved with validation studies is limited by methodological constraints associated with appropriately assigning fatalities to treatments. Because of the temporal separation between when a bat collides with a turbine and when it is discovered during a ground-based carcass survey, we must assign carcasses to a treatment that ran during the prior night(s). This process may introduce errors at multiple stages. First, for studies that rotate treatments among turbines, mortality surveyors must be confident that carcasses are 'fresh' such that mortalities are correctly assigned to the treatment from the previous night(s). Second, we must reconcile any misalignments between how we assign treatments and how we implement treatments (e.g., turbines assigned with a deterrent treatment may be implemented as another treatment when deterrent devices are not operating as designed). Finally, for curtailment solutions, it is critical to recognize that measured effects are a function of not just the treatment as implemented but the proportion of the night the treatment is realized (e.g., if wind speeds are greater than the curtailment treatment cut-in speed for the entire night, we cannot expect there to me any differences in mortality reduction relative to control turbines). Using a dataset collected between June and October 2017, that rotated 3 treatments (Deterrent Only, 5 m/s Curtail only, and 5 m/s Curtail & Deterrent) and 1 control condition across 16 turbines each night, we explored the importance and implications of accounting for potential errors in assigning fatalities to treatments. We present preliminary results comparing the mortality associated with error-corrected treatments and control conditions highlighting how the measured effect of a treatment (mortality) greatly depends on site specific implementation.

bats↗

Non-destructive measurement and real-time monitoring of apple hardness during ultrasonic contact drying via portable NIR spectroscopy and machine learning

Portable near-infrared spectrometer in the spectral range of 900–1700 nm was evaluated for the first time to assess and monitor apple hardness in real-time during ultrasonic drying. Calibration models were developed using PLS and ANN, and their performances were evaluated by internal leave-one-out cross-validation and an external dataset. Several pre-treatments including standard normal variate (SNV), multiplicative scatter correction (MSC), Savitzky–Golay first and second derivatives were employed to examine the effects of spectral variations in hardness prediction. Seven important wavelengths were selected using weighted regression coefficients to develop a simple MLR model to facilitate the model interpretation and circumvent noise. The models using PLS, MLR, and ANN with selected wavelengths predicted the apple hardness with R 2 p of 0.91, 0.91, 0.95, and RMSEP of 14.78, 14.85, and 12.46 N, respectively. Finally, the results indicate that portable NIR spectrometers are quite promising for real-time monitoring of apple hardness during ultrasonic drying.

47 OTHER INSTRUMENTATION↗

Hybrid Cooling and Water Treatment for Resilient, Water-Self-Sufficient Data Centers

The continued growth of data center infrastructure is intensifying demand for freshwater resources, particularly in water-stressed regions, and is increasingly limiting sustainable capacity expansion. This work investigates a conceptual hybrid system that integrates freeze desalination with ultrasonic-assisted ice separation to enable on-site production of pure water from diverse sources, including seawater, brackish groundwater, and reclaimed industrial or agricultural wastewater. Simultaneously, the system produces low-temperature cooling streams that enhance heat removal in high power density computing environments. A process-level thermodynamic analysis is performed across a range of boundary and operating conditions, including variations in feed concentration, freezing temperature, and mass flow rate. The results are presented as performance curves relating feedwater concentration and target purified water output to the corresponding intake flow requirements, enabling estimation of source water demand per unit of Information Technology Equipment (ITE) energy consumption (kWh) across varying data center scales and operational scenarios. The corresponding electrical energy consumption for integrated cooling and water treatment is also evaluated as a function of system operating parameters and target water production levels. These results provide a basis for evaluating system feasibility across different conditions and for identifying parameter ranges in which integrated water treatment and cooling improve resource efficiency, thermal performance, and operational flexibility in data centers.

Elhefny, Aly [ORNL] (ORCID:0000000284907923)↗

Development of a Robust Reference Electrode in Aggressive Chemical and Radiation Environments in the Hanford Waste Tanks

The Hanford site stores more than 200 million liters of radioactive and chemically hazardous wastes from the production of weapons materials. The wastes are stored in 177 underground carbon-steel storage tanks, separated between 149 single shell tanks (SSTs) and 28 double shell tanks (DSTs). The DSTs provide critical retrieval and interim storage before the waste is vitrified in the Waste Treatment and Isolation Plant (WTP). The tanks will need to remain in-service far beyond the initial 40-year design life, and effective corrosion control practices must remain in force to extend the tanks’ lifespans. This effort includes direct measurements of corrosion rate (e.g., ultrasonic measurements and corrosion coupons) and electrochemical processes (e.g., linear polarization measurements and open circuit potential measurements). The Hanford site began monitoring the corrosion potential in select DSTs in 2008. Of the 45 reference electrodes that have been installed, 29 have failed and 6 others provided unreliable results. DOE-EM is supporting a 3-year program to develop a chemical and radiation resistant reference electrode for application in the Hanford tanks. The first year of the program focused on understanding the failure mechanism for the reference electrodes and identification of candidate construction materials that would mitigate degradation of the electrodes in the waste environment. During the second year of the program, the objectives were to: 1) test candidate materials under simulated waste conditions, 2) design components that will extend the service life of the electrode, 3) fabricate materials for prototype reference electrodes, and 4) assemble prototype reference electrodes for accelerated testing. The reference electrode is constructed of four principal parts: 1) junction, 2) casing, 3) inner chamber backfill materials, and 4) the sensing wire. Principally, improvements of the junction, casing, and inner chamber backfill materials are being pursued. The junction material at the interface between the waste and the inner chamber of the reference electrode was identified as a critical component in the failure of the reference electrodes. Nine candidate replacement junction materials were tested under simulated waste conditions to evaluate permeation rate. These materials included a variety of polymeric and ceramic materials, some of which were 3-D printed. Thus far, porous polyvinylidene fluoride materials have performed satisfactorily and are being considered for prototype development. The commercial electrode casing materials in general have performed well. Additionally, 3-D printing of chemically and mechanically stable materials is being investigated as a means for further improvement in fabrication consistency. SRNL has also investigated altering the reference electrode design to extend the service life. The new design of the interior of the reference electrode casing creates a longer, more tortuous path between the junction material and the electrode sensing wire. A finite element model was used to optimize the design without adversely impacting the circuit resistance of the electrode during the measurements, thus preserving the measurement accuracy while enhancing the service life. The inner chamber back fill materials are also critical to the performance of the reference electrode. Materials that are resistant to intruding tank waste and provide a conductive path to the sensing wire were investigated. Gel and powder materials that are interspersed with a conductive chloride bearing material were tested for their influence on diffusion and electrode resistance. All the investigated materials and components will be assembled, with collaboration from commercial vendors, to fabricate the initial prototypes. Accelerated testing of the prototypes will be initiated in Year 2 of the program and will be completed in Year 3. A recommendation on the materials of construction and the design of the new robust reference electrode will be presented to the Hanford tank farm facility.

Sykes, Kiana [Savannah River National Laboratory (↗

Processing aluminum alloy with hybrid wire arc additive manufacturing and ultrasonic nanocrystalline surface modification to improve porosity, surface finish, and hardness

Here, in this paper, a novel hybrid wire arc additive manufacturing (WAAM) and ultrasonic nanocrystal surface modification (UNSM) on porosity manipulation and surface properties of aluminum 5356 alloys was studied. The goal is to improve the quality of the WAAM-built part by eliminating bigger pores and reducing its size, reducing surface roughness, and increasing surface hardness. The as-built WAAM and WAAM-UNSM-treated samples were quantitatively studied for porosity using an X-ray micro-computed tomography (μ-CT). The surface roughness was measured on the surface profile of the same samples before and after UNSM treatment. Followed by the Vickers micro-hardness tests to evaluate the hardness modified by the influence of the UNSM treatment. It was found that the bigger pores in the as-built WAAM samples were eliminated and the medium-sized pores were shrunk to almost half the size after the UNSM treatment. Further, the UNSM treatment showed a significant improvement in both surface roughness and hardness on the WAAM Al5356 samples. This experimental work demonstrates the critical advantages of hybrid WAAM-UNSM in improving the qualities of the WAAM processed parts.

Hardness↗

Sonochemical oxidation and stabilization of liquid elemental mercury in water and soil

Over 3000 mercury (Hg)-contaminated sites worldwide contain liquid metallic Hg [Hg(0) 1 ] representing a continuous source of elemental Hg(0) in the environment through volatilization and solubilization in water. Currently, there are few effective treatment technologies available to remove or sequester Hg(0) 1 in situ. We investigated sonochemical treatments coupled with complexing agents, polysulfide and sulfide, in oxidizing Hg(0) 1 and stabilizing Hg in water, soil and quartz sand. Results indicate that sonication is highly effective in breaking up and oxidizing liquid Hg(0) 1 beads via acoustic cavitation, particularly in the presence of polysulfide. Without complexing agents, sonication caused only minor oxidation of Hg(0) 1 but increased headspace gaseous Hg(0) g and dissolved Hg(0) aq in water. However, the presence of polysulfide essentially stopped Hg(0) volatilization and solubilization. As a charged polymer, polysulfide was more effective than sulfide in oxidizing Hg(0) 1 and subsequently stabilizing the precipitated metacinnabar (β-HgS) nanocrystals. Sonochemical treatments with sulfide yielded incomplete oxidation of Hg(0) 1 , likely resulting from the formation of HgS coatings on the dispersed µm-size Hg(0) 1 bead surfaces. Sonication with polysulfide also resulted in rapid oxidation of Hg(0) 1 and precipitation of HgS in quartz sand and in the Hg(0) 1 -contaminated soil. This research indicates that sonochemical treatment with polysulfide could be an effective means in rapidly converting Hg(0) 1 to insoluble HgS precipitates in water and sediments, thereby preventing its further emission and release to the environment. We suggest that future studies are performed to confirm its technical feasibility and treatment efficacy for remediation applications.

36 MATERIALS SCIENCE↗

Calibration and validation of the foundation for a multiphase strength model for tin

In this work, the Common Model of Multi-phase Strength and Equation of State (CMMP) model was applied to tin. Specifically, calibrations of the strength-specific elements of the CMMP foundation were developed with a combination of experiments and theory, and then the model was validated experimentally. The first element of the foundation is a multi-phase analytic treatment of the melt temperature and the shear modulus for the solid phases. These models were parameterized for each phase based on ab initio calculations using the software VASP (Vienna Ab initio Simulations Package) based on density functional theory. The shear modulus model for the ambient phase was validated with ultrasonic sound speed measurements as a function of pressure and temperature. The second element of the foundation is a viscoplastic strength model for the phase, upon which strength for inaccessible higher-pressure phases can be scaled as necessary. The stress–strain response of tin was measured at strain rates of 10 -3 to 3 x 10 3 s -1 and temperatures ranging from 87 to 373 K. The Preston–Tonks–Wallace (PTW) strength model was fit to that data using Bayesian model calibration. For validation, six forward and two reverse Taylor impact experiments were performed at different velocities to measure large plastic deformation of tin at strain rates up to ⁠10 5 s -1 . The PTW model accurately predicted the deformed shapes of the cylinders, with modest discrepancies attributed to the inability of PTW to capture the effects of twinning and dynamic recrystallization. Some material in the simulations of higher velocity Taylor cylinders reached the melting temperature, thus testing the multiphase model because of the presence of a second phase, the liquid. In simulations using a traditional modeling approach, the abrupt reduction of strength upon melt resulted in poor predictions of the deformed shape and non-physical temperatures. With CMMP, the most deformed material points evolved gradually to a mixed solid–liquid but never a fully liquid state, never fully lost strength, stayed at the melt temperature as the latent heat of fusion was absorbed, and predicted the deformed shape well.

36 MATERIALS SCIENCE↗

Calibration and validation of the foundation for a multiphase strength model for tin

In this work, the Common Model of Multi-phase Strength and Equation of State (CMMP) model was applied to tin. Specifically, calibrations of the strength-specific elements of the CMMP foundation were developed with a combination of experiments and theory, and then the model was validated experimentally. The first element of the foundation is a 10 multi-phase analytic treatment of the melt temperature and the shear modulus for the solid phases. These models were parameterized for each phase based on ab initio calculations using the software VASP (Vienna Ab initio Simulations Package) based on density functional theory (DFT). The shear modulus model for the ambient β phase was validated with ultrasonic sound speed measurements as a function of pressure and temperature. The second element of the foundation is a viscoplastic strength model for the β phase, upon which strength for inaccessible higher-pressure phases can be scaled as necessary. The stress-strain response of tin was measured at strain rates of 10 -3 to 3 x 10 3 s -1 and temperatures ranging from 87 to 373 K. The Preston-Tonks-Wallace (PTW) strength model was fit to that data using Bayesian model calibration. For validation, six forward and two reverse Taylor impact experiments were performed at different velocities to measure large plastic deformation of tin at strain rates up to 10 5 s -1 . The PTW model accurately predicted the deformed shapes of the cylinders, with modest discrepancies attributed to the inability 20 of PTW to capture the effects of twinning and dynamic recrystallization. Some material in the simulations of higher velocity Taylor cylinders reached the melting temperature, thus testing the multiphase model because of the presence of a second phase, the liquid. In simulations using a traditional modeling approach, the abrupt reduction of strength upon melt resulted in poor predictions of the deformed shape and non-physical temperatures. With CMMP, the most deformed material points evolved gradually to a mixed solid-liquid but never fully liquid state, never fully lost strength, 25 stayed at the melt temperature as the latent heat of fusion was absorbed, and predicted the deformed shape well.

36 MATERIALS SCIENCE↗

Radiation Damage Studies on Titanium Alloys as High Intensity Proton Accelerator Beam Window Materials

A high-strength dual a+ß phase titanium alloy Ti–6Al–4V is utilized as a material for beam windows in several accelerator target facilities. However, relatively little is known about how material properties of this alloy are affected by high-intensity proton beam irradiation. With plans to upgrade neutrino facilities at J-PARC and Fermilab to over 1 MW beam power, the radiation damage in the window material will reach a few displacements per atom (dpa) per year, significantly above the ~0.3 dpa level of existing data. The international RaDIATE collaboration, Radiation Damage In Accelerator Target Environments, has conducted a high intensity proton beam irradiation of various target and window material specimens at Brookhaven Linac Isotope Producer (BLIP) facility, including a variety of titanium alloys. Post-Irradiation Examination (PIE) of the specimens in the 1st capsule, irradiated at up to 0.25 dpa, is in progress. Tensile tests in a hot cell at Pacific Northwest National Laboratory (PNNL) exhibited a clear signature of radiation hardening and loss of ductility for Ti–6Al–4V, while Ti–3Al–2.5V, with less ß phase, exhibited less severe hardening. Microstructural investigations will follow to study the cause of the difference in tensile behavior between these alloys. High-cycle fatigue (HCF) performance is critical to the lifetime estimation of beam windows exposed to a periodic thermal stress from a pulsed proton beam. The first HCF data on irradiated titanium alloys are to be obtained by a conventional bend fatigue test at Fermilab and by an ultrasonic mesoscale fatigue test at Culham Laboratory. Specimens in the 2nd capsule, irradiated at up to ~1 dpa, cover typical titanium alloy grades, including possible radiation-resistant candidates. These systematic studies on the effects of radiation damage of titanium alloy materials are intended to enable us not only to predict realistic lifetimes of current beam windows made of Ti–6Al–4V, but also to extend the lifetime by choosing a more radiation and thermal shock tolerant alloy with a preferable heat treatment, or even by developing new materials.

Titanium Alloy, Beam Window, Proton Beam, Radiatio↗

Novel Foaming Solutions for High Level Waste (HLW) Processing - 20195

Foaming occurs during treatment of high level waste (HLW) at Savannah River Site's Defense Waste Processing Facility (DWPF) in the Chemical Process Cell (CPC) due to high gas generation from process steam and chemical offgas products [1]. The presence of amphiphilic particles in the waste slurry stabilizes the foam [2], [3]. Efficient processing of HLW requires foam control, as foam-overs lead to lower productivity and potential radioactive contamination of condensate streams. DWPF currently employs Siovation Antifoam 747, a surfactant produced by Momentive Performance Materials, as an antifoaming agent during waste treatment. Despite its ability to control foam generation, processing issues have arisen from its use [4]. During DWPF chemical processing, a chemical antifoam agent must be effective at temperatures up to 103 deg. C between pH 3-13. Antifoam 747 is effective at pH 7 but degrades as pH deviates [5]. Antifoam 747 is 90% by weight Momentive{sup TM} L77 and 10% by weight Momentive{sup TM} Y-17580. These ingredients are trisiloxane products, which are especially vulnerable to attack in acidic and caustic environments. Since Antifoam 747 readily degrades, periodic addition is required. Several processing concerns related to Antifoam 747 have affected DWPF operation. Its overuse warranted concern of potential flammable melter offgas under upset conditions due to the generation of carbon dioxide and hydrogen. As a result, a Potential Inadequacy in the Safety Analysis (PISA) was declared [6]. Antifoam contribution has been included in the melter offgas flammability strategy and the quantity of antifoam is monitored to ensure limits are not exceeded. Testing at Savannah River National Laboratory (SRNL) determined that propanal, tri-methylsilanol, and hexamethyldisiloxane are generated as Antifoam 747 degrades, leading to a second PISA [7]. The formation of these byproducts poses additional flammability risks. Furthermore, the methyl and ethyl groups of these compounds may be responsible for the formation of the methyl and ethyl mercury discovered in DWPF [8], [9]. The formation of organomercury has specifically been called out by DOE as a need for increased research. The effectiveness of non-chemical methods for foam control and the efficiency of alternative antifoam agents were evaluated as part of an effort to improve HLW treatment operations at DWPF and to reduce, or eliminate, the flammability hazards associated with Antifoam 747 currently in use. Foaming of high-level waste (HLW) slurries is an issue at the Defense Waste Processing Facility (DWPF) Chemical Process Cell (CPC) which is currently mitigated with a chemical antifoam agent. The effectiveness of non-chemical methods for foam control and the efficiency of alternative antifoams were examined to improve HLW treatment at DWPF and to eliminate the flammability hazards associated with Siovation Antifoam 747 currently in use. Non-chemical foam control methods were deemed unviable for chemical processing at DWPF, as the spray/mist technique requires too much water and space limitations make installation and implementation of headspace agitators unfeasible. The use of ultrasonic energy thickened and further stabilized the foam. Two suitable alternative defoaming agents, Momentive{sup TM} Y- 17112 and Evonik Surfynol{sup R} MD-20, were identified. Both defoamers control foam over a pH range of 4- 13 at boiling, with no flammable degradation products, and only minimal quantities (100-200 mg/kg) are required under glycolic acid conditions. In order to validate the effectiveness of these defoaming agents, SRNL recommends irradiation testing and laboratory scale SRAT/SME experiments with actual radioactive waste. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗