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DOE OSTI2020

Modeling of the Coral Microbiome: the Influence of Temperature and Microbial Network

Host-associated microbial communities are shaped by extrinsic and intrinsic factors to the holobiont organism. Environmental factors and microbe-microbe interactions act simultaneously on the microbial community structure, making the microbiome dynamics challenging to predict. The coral microbiome is essential to the health of coral reefs and sensitive to environmental changes. Here, we develop a dynamic model to determine the microbial community structure associated with the surface mucus layer (SML) of corals using temperature as an extrinsic factor and microbial network as an intrinsic factor. The model was validated by comparing the predicted relative abundances of microbial taxa to the relative abundances of microbial taxa from the sample data. The SML microbiome from Pseudodiploria strigosa was collected across reef zones in Bermuda, where inner and outer reefs are exposed to distinct thermal profiles. A shotgun metagenomics approach was used to describe the taxonomic composition and the microbial network of the coral SML microbiome. By simulating the annual temperature fluctuations at each reef zone, the model output is statistically identical to the observed data. The model was further applied to six scenarios that combined different profiles of temperature and microbial network to investigate the influence of each of these two factors on the model accuracy. The SML microbiome was best predicted by model scenarios with the temperature profile that was closest to the local thermal environment, regardless of the microbial network profile. Our model shows that the SML microbiome of P. strigosa in Bermuda is primarily structured by seasonal fluctuations in temperature at a reef scale, while the microbial network is a secondary driver. Coral microbiome dysbiosis (i.e., shifts in the microbial community structure or complete loss of microbial symbionts) caused by environmental changes is a key player in the decline of coral health worldwide. Multiple factors in the water column and the surrounding biological community influence the dynamics of the coral microbiome. However, by including only temperature as an external factor, our model proved to be successful in describing the microbial community associated with the surface mucus layer (SML) of the coral P. strigosa. The dynamic model developed and validated in this study is a potential tool to predict the coral microbiome under different temperature conditions.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Transport Phenomena in Low Temperature Lithium-Ion Battery Electrolytes

Lithium-ion batteries face low temperature performance issues, limiting the adoption of technologies ranging from electric vehicles to stationary grid storage. This problem is thought to be exacerbated by slow transport within the electrolyte, which in turn may be influenced by ion association, solvent viscosity, and cation transference number. How these factors collectively impact low temperature transport phenomena, however, remains poorly understood. Here we show using all-atom classical molecular dynamics (MD) simulations that the dominant factor influencing low temperature transport in LP57 (1 M LiPF 6 in 3:7 ethylene carbonate (EC)/ethyl methyl carbonate (EMC)) is solvent viscosity, rather than ion aggregation or cation transference number. We find that ion association decreases with decreasing temperature, while the cation transference number is positive and roughly independent of temperature. In an effort to improve low temperature performance, we introduce γ -butyrolactone (GBL) as a low viscosity co-solvent to explore two alternative formulations: 1 M LiPF 6 in 15:15:70 EC/GBL/EMC and 3:7 GBL/EMC. While GBL reduces solution viscosity, its low dielectric constant results in increased ion pairing, yielding neither improved bulk ionic conductivity nor appreciably altered ion transport mechanisms. We expect that these results will enhance understanding of low temperature transport and inform the development of superior electrolytes.

25 ENERGY STORAGE↗

DOE OSTI2020

Consideration of temperature-dependent emissivity of selective emitters in thermophotovoltaic systems

Spectral emissivity control is paramount for designing a high-efficiency selective emitter surface required for thermophotovoltaic (TPV) applications. Owing to the temperature dependency of materials optical constants, the spectral properties of a selective emitter surface changes with the emitter temperature. This paper presents the fabrication of a multilayer metal-dielectric ( ${\rm Si}_{3}{\rm N}_{4}/\rm W/Si_{3}{\rm N_{4}}$ ) coated tungsten selective emitter aimed for GaSb-based TPV systems and studies the dependence of its surface spectral emissivity, $\varepsilon (\lambda)$ , upon a temperature ranging from 300 K to 1500 K. Both the simulation and experimental methods were used to characterize $\varepsilon (\lambda)$ as a function of temperature. For wavelengths less than 1.4 µm, $\varepsilon (\lambda)$ was found to have a minimal dependence on temperature. Beyond 1.4 µm, $\varepsilon (\lambda)$ increases with the temperature. At 1.55 µm, the simulation and experimental data estimated a ${\sim}{{4}}\%$ greater emissivity at 1500 K than at room temperature. At 1500 K, the increased $\varepsilon (\lambda)$ at longer wavelengths lowered the spectral conversion efficiency of the selective emitter from 58% to 47%. The output power density, sub-bandgap loss, and TPV conversion efficiency ( ${\eta _{\rm TPV}}$ ) for a GaSb cell illuminated by the selective thermal emitter at 1500 K were estimated. ${\eta _{\rm TPV}}$ drops from 13.7% to 11% due to the increased sub-bandgap emission at 1500 K. Essential approaches for mitigating the sub-bandgap losses to further improve ${\eta _{\rm TPV}}$ are also discussed.

42 ENGINEERING↗

DOE OSTI2022

Fabrication of silicon-tipped fiber-optic temperature sensors using aerogel-assisted glass soldering with precise laser heating

We demonstrate the fabrication of fiber-optic Fabry–Perot interferometer (FPI) temperature sensors by bonding a small silicon diaphragm to the tip of an optical fiber using low melting point glass powders heated by a 980 nm laser on an aerogel substrate. The heating laser is delivered to the silicon FPI using an optical fiber, while the silicon temperature is being monitored using a 1550 nm white-light system, providing localized heating with precise temperature control. The use of an aerogel substrate greatly improves the heating efficiency by reducing the thermal loss of the bonding parts to the ambient environment. A desirable temperature for bonding can be achieved with relatively small heating laser power. The bonding process is carried out in an open space at room temperature for convenient optical alignment. The precise temperature control ensures minimum perturbation to the optical alignment and no induced thermal damage to the optical parts during the bonding process. For demonstration, we fabricated a low-finesse and high-finesse silicon FPI sensor and characterized their measurement resolution and temperature capability. The results show that the fabrication method has a good potential for high-precision fabrication of fiber-optic sensors.

Sheng, Qiwen↗

DOE OSTI2021

Modeling Contact Angle vs. Temperature for the Quartz-Water-Decane System

Innovative approaches are needed to improve the efficiency of oil recovery technologies to meet the growing demands of fossil-fuel based energy consumption. Enhanced oil recovery (EOR) methods such as low-salinity waterflooding and chemically tuned waterflooding aim to optimize the reservoir’s wetting properties, detaching oil globules from rock surfaces and allowing easier oil flow through pore throats. This wetting behavior is commonly quantified by contact angle measurements of the rock-oil-brine interface, which have been thoroughly investigated and theorized for many systems at ambient temperatures and pressures. However, few studies exist for extending contact angle theories away from ambient conditions. In this paper, we model the contact angles of a quartz-water-decane system at elevated temperatures using the surface tension component (STC) approach. Temperature-dependent van der Waals [Lifshitz-van der Waals (LW)] interactions and hydrogen-bonding (acid-base) interactions were calculated and are incorporated into the model for the quartz-water-decane interface. Additionally, the Hough and White procedure was used to create temperature-dependent dielectric functions of quartz, water, and normal decane for calculations of Hamaker coefficients. Hamaker coefficients calculated this way are highly linear with temperature and agree well with Israelachvili’s approximation. The acid-base interactions likely contribute the most to system wettability changes. Resulting contact angles of the quartz-water-decane system shift from water-wet (16°) to slightly water-wet (57.4°) as temperature increases. The model was also successfully verified for the quartz-air-water system. Our results can be used in future studies to determine optimal injected water compositions for specific rock-oil-brine and other systems with consideration of reservoir temperature.

02 PETROLEUM↗

DOE OSTI2020

Tribological Behavior of Structural Materials in High Temperature Helium Gas-Cooled Reactor Environments

The High-Temperature Gas-cooled Reactor (HTGR) is a Generation IV concept designed to produce electricity and hydrogen at high efficiencies via high operating temperatures (700 °C or higher). Helium, the primary coolant for HTGRs, contains impurities (e.g., CO, H2O and CH4) that can induce corrosion reactions at high temperatures such as oxidation and (de)carburization, which in turn can affect the tribological behavior of components. Incoloy® 800HT (Ni-Fe-Cr austenitic solid-solution alloy) and Inconel® 617 (Ni-Cr-Co-Mo solid-solution alloy) are two high-temperature superalloys currently selected as candidate structural materials for the HTGR. The objective of this study is to evaluate the high-temperature tribological performance of these two candidate alloys after conditioning them in HTGR environments. Four regimes of corrosion were considered: a non-conditioned regime (Regime I), an oxidizing regime (Regime II), a carburizing and oxidizing regime (Regime III), and a carburizing regime (Regime IV). To simulate oxidation in HTGR, samples were conditioned for 22 days at elevated temperatures in a once-through helium loop with 4 ppmv H2O. Carburization of the samples was achieved by the commercial process, Kolsterising®. In addition, two surface treatments – shot peening and aluminization – were considered as potential routes of improving the alloys’ wear resistance. Surface-treated samples were tested both before and after conditioning in Regime II. Tribological testing of the samples was performed via a pin-on-disk tribometer at elevated temperatures in ambient environment – 650 and 750°C for 800HT; 850 and 900°C for 617 – with applied loads of 1N, 2N and 5N. The wear behavior of the alloys was assessed via wear volume and friction coefficient measurements, supported by morphological, structural and compositional analyses of the wear tracks. Conditioning the samples in Regime II led to the formation of a chromium oxide on both alloys. This protective scale increased the wear resistance compared to that of as-received samples (Regime I) due to the formation of a compacted ‘glaze’ oxide layer during sliding, rendering the wear track nearly undistinguishable from the unworn background and resulting in wear volumes below the detection limits of the measurement technique. The variability of the friction coefficients of the conditioned samples was also considerably reduced compared to that of the as-received samples due to the glaze layer. Additionally, the initial friction coefficients of the samples conditioned in Regime II were reduced by 45% and 54% compared to those of as-received samples for alloys 800HT and 617, respectively. Carburizing the samples (Regime IV) hardened the surfaces of both alloys and promoted the formation of an iron oxide on 800HT during tribological testing, thereby increasing the wear resistance and decreasing the initial friction coefficient by a factor of two compared to those of as-received 800HT. Alloy 617 exhibited an enhanced wear resistance but similar initial friction coefficient compared to those of as-received samples due to the increased surface hardness. The Mn-Cr oxide developed during Regime III conditioning of 800HT did not develop a glaze layer during tribotesting, even at lower loads. Thus, it was not as protective as the oxide produced during conditioning of Regime II samples, leading to lower wear resistance of 800HT in Regime III compared to that measured in the Regime II condition. 800HT benefited from the aluminization surface treatment, particularly before conditioning in Regime II, due to the promotion of a wear-resistant aluminum oxide layer during testing and the increase in surface hardness due to the presence of a FeAl intermetallic phase. The presence of this phase caused an order-of-magnitude reduction in wear volumes compared to those of as-received 800HT. Aluminization of 617 decreased its wear resistance, particularly after conditioning in Regime II, due to significant wear of the aluminum oxide via a ceramic wear mechanism. This aluminum oxide was removed during sliding, causing the wear volumes to increase by a factor of five compared to those of 617 conditioned in Regime II. Shot-peened 800HT exhibited a tribological behavior similar to that of as-received 800HT, despite an enhancement in the rate of chromium oxide formation. Shot-peened 800HT conditioned in Regime II showed lower wear resistance compared to that of 800HT conditioned in Regime II due to the poor adhesion between the oxide and the underlying metal, preventing the formation of the glaze layer during sliding. Shot peening of 617 increased its wear resistance at higher load, reducing worn volumes by 60% compared to that measured with as-received 617. Tribotesting of shot-peened 617 in Regime II revealed that the glaze-oxide layer was formed at every load, resulting in negligible wear, similar to what was observed from testing 617 after conditioning in Regime II. Overall, alloy 617 exhibited tribologically superior behavior compared to that of alloy 800HT, as demonstrated by its lower friction coefficients and its order-of-magnitude lower wear volumes when measurable.

36 MATERIALS SCIENCE↗

DOE OSTI2020

An approach for the measurement of the bulk temperature of single crystal diamond using an X-ray Free Electron Laser

We present a method to determine the bulk temperature of a single crystal diamond sample at an X-Ray Free Electron Laser using inelastic X-ray scattering. The experiment was performed at the High Energy Density (HED) instrument at the European XFEL GmbH, Germany. The technique, based on inelastic X-ray scattering and the principle of detailed balance, was demonstrated to give accurate temperature measurements, within 8% for both room temperature diamond and heated diamond to 500 K. Here, the temperature was increased in a controlled way using a resistive heater to test theoretical predictions of the scaling of the signal with temperature. The method was tested by validating the energy of the phonon modes with previous measurements made at room temperature using inelastic X-ray scattering and neutron scattering techniques. This technique could be used to determine the bulk temperature in transient systems with a temporal resolution of 50 fs and for which accurate measurements of thermodynamic properties are vital to build accurate equation of state models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Theory-guided Design of Refractory MPEAs for High-Temperature, Harsh-Service Conditions

Focusing on novel materials for harsh-service environments (oxidation, corrosion, and load), durability, higher operational temperature, and direct impact on power-generation technology, the goal was, using a quantitative theory-guided design approach integrated with high-throughput synthesis and characterization for validation, to accelerate by 50% the development of high temperature, refractory-based multi-principal element alloys (MPEAs) materials platforms (with co-designed oxidation-resistant, self-healing coatings) that demonstrate phase-stable operation with desired properties at 10-20% higher temperatures in oxidizing environments over state-ofthe- art systems (like Ni-stainless steels, i.e., Haynes 282 – used in critical gas turbine applications, and refractory TZM, i.e., molybdenum-rich Mo99.4-Ti0.5-Zr0.08-C0.02 in wt%). Notably, refractory MPEAs may achieve higher operational temperatures with superior creep strength and offer 50-100% larger thermal conductivity (140-170 W/m-K) than Ni-based systems, potentially eliminating active cooling, reducing system weight, complexity, and cost. Achieving this goal addresses DOE material challenges in energy generation and efficiency (higher-temperature operation), reduced lifecycle energy (waste-heat recovery), and accelerating materials development in support of AMO’s Strategic Plan and QTR goals. DOE’s Advanced Manufacturing Office (AMO) goal of reducing industrial energy intensity and GHG emissions is addressed by development of coated refractory MPEAs exhibiting 20%+ higher operational temperature (direct increase of Carnot efficiency), higher melting temperatures (better phase stability), superior creep strength (better lifetime with creep rate lower by factor of 10), larger (50-100%) thermal conductivity (improved cooling without active cooling), reduced complexity (single-phase alloys), self-healing coating (reliable oxidation-resistance) and cost.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Ultra-High Temperature Thermal Barrier Coating Development and Validation

The most effective method to improve industrial gas turbine power is to increase firing temperature. To maintain component durability at these higher temperatures, thermal barrier coatings (TBC’s) are playing an increasing role in protecting turbine hardware. TBC’s have been successfully used on Solar Turbines’ combustor liners and turbine airfoils, but there is a need for TBC’s that can operate at higher temperatures. Based on recent, favorable rig testing experience, Solar recognized that yttrium aluminum garnet (YAG) TBC’s made by the Solution Precursor Plasma Spray Process (SPPS) has great potential for higher turbine temperatures. This testing verified the thermal cycle durability of the SPPS YAG TBC’s, as well as demonstrated that the temperature drop through the SPPS YAG TBC was twice that measured across a companion APS YSZ TBC. The SPPS YAG TBC with the potential for a 200°C improvement in temperature capability represents a materials breakthrough. The SPPS process also produces a number of unique microstructural features that confer superior properties. SPPC TBC’s have ultra-fine splats that increase toughness and erosion resistance, and the process can be tailored to produce through-thickness cracks for strain-tolerance and control porosity for lower thermal conductivity and increase coating abradability. This proposal would include further development of SPPS YAG density-graded coatings, optimization of the application process, and validation of higher temperature capability and durability through rig and engine testing of coated combustion liners and turbine outer air seals. The technology would be advanced from a TRL 3 to a proposed TRL 6 by overcoming processing concerns on efficiency, application distance and optimization of a graded coating without impacting coating durability by demonstrating the coating performance on components in rig and development gas turbine engine testing.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Rising Temperatures and Heat waves in the CSRA

Temperatures are gradually rising at the CSRA, to study this we compared temperature data from the CSRA from the 1970s and the 2010s. We discovered that the 2010 decade was hotter than the 1970s. A heat wave is a period of more than two days when the temperature is abnormally hot. However, heat waves involve more variables than just temperature-high pressure-and low soil moisture are also common. Also, the heat island effect- urban areas tend to be hotter than rural areas-affects the wave. I chose to study two heat waves, June 2015 and May 2019. The high temperatures in the heat wave were related to high pressures and low soil moistures. We compared SRS and Daniel Field and Bush Field Airport temperatures. Daniel Field was in the city and showed higher temperatures during the wave.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

High-Temperature Heat Transfer Fluid Circulator for Concentrating Solar Power Systems

A high temperature Heat Transfer Fluid circulator compressor with wide turn down ratio aerodynamic performance was designed, fabricated and tested for application with high pressure super Critical CO2 fluid capable of temperatures and pressures to >750°C and 25 MPa respectively. The modular system decoupled the drive motor system from an independent compressor shaft to provide thermal isolation between the high temperature compressor shaft and the lower temperature capable motor elements. While the thermal management approach appears to be viable there are potential losses in the secondary cooling flows that need to be taken into account and fine-tuned during operation in order to achieve desired overall system efficiencies. The system was also shown to be viable and dynamically stable throughout the entire operating speed range, thereby validating the overall system configuration and structural design approach used. Finally, while it was not possible to achieve specific PTC-10 test points, the compressor performance tests provide sufficient data to indicate that the compressor has the ability to achieve the required performance in practice. The two key factors affecting compressor design and cost are the maximum expected temperature and pressure. The maximum allowable temperatures for current state-of-the-art (SOA) motor driven compressor technology is limited to of approximately 150-200°C, but inlet temperatures >750 °C may be encountered. While the optimal efficiency of compression is in the transcritical region, some concepts require inlet pressures to 225 bar.

14 SOLAR ENERGY↗

DOE OSTI2021

High-Temperature Heat Transfer Fluid Circulator for Concentrating Solar Power Systems How Mohawk and Velo3Dare Printing the Future of Energy

14 SOLAR ENERGY↗

DOE OSTI2023

Semi-Annual Report for Horizontal Compact High Temperature Gas Reactor (HC-HTGR) Development during Performance Period April 2023 – September 2023

Horizontal Compact High Temperature Gas Reactor (HC-HTGR) is being designed by a multi-disciplinary team of nuclear, mechanical, and structural engineers under the support of a DOE-NE Advanced Reactor Demonstration Program’s Advanced Reactor Concepts-20 (ARC-20) award. The objective of this ARC-20 project is to deliver a conceptual design for the proposed HC-HTGR in 3 years and support its commercialization as a safe, low-cost HTGR. Argonne National Laboratory (Argonne) is responsible for the design and analysis of the reactor cavity cooling system (RCCS) as a safety system for passive decay heat removal of the reactor concept. Additionally, Argonne is providing analysis of the primary coolant system to ensure temperatures within the core remain below safety margins during steady-state and potential accident scenarios. This fourth semi-annual report summarized the progress made at Argonne on the two tasks during the second half of FY23. As a part of the RCCS design task, recent efforts have been made to complete a conceptual design of the RCCS for the HC-HTGR, including the design update of the water panel and system configuration favorable in point of view of fabrication and system operation. Design calculations were conducted under various heat load conditions to validate the system design. Transient simulations using RELAP5-3D were conducted to investigate system dynamics under transients of interest and to evaluate the system performance in the design condition. The results demonstrated the overall system feasibility that the RCCS design maintains structures temperatures lower than maximum allowable temperature with sufficient system inventory without any active heat sink. In the primary system thermal hydraulics task, the preliminary analysis was performed for a long term pressurized conduction cooldown (PCC) transient. This analysis used a combination of a fully resolved and coarse homogenized mesh to predict the temperature distribution for the steady-state initial condition and the PCC transient. The steady-state initial condition was determined using a fully resolved full core model with 3D solid to 1D fluid coupling. The fully resolved mesh was also used to model the first 20 seconds of the PCC. The temperature difference between fuel pins and the graphite matrix becomes minimal and the dominant heat transfer shifts to a larger scale radially towards the RCCS. After 20 seconds, a homogenized coarse mesh is used, greatly reducing the computational costs of the model. These results demonstrate that the core is designed to passively remove enough decay heat in a protected loss of primary coolant flow to prevent an unsafe rise of core temperatures.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Distributed Magnetic Field and Temperature Monitoring for Superconducting Radio Frequency Cavities

The overall objective of the proposed Phase I program was to design, construct and demonstrate a fiber optic sensing system capable of providing temperature and magnetic field measurements with an enhanced spatial resolution that can be implemented over a large surface area (cryomodules) to survey superconducting radio frequency cavities and magnets. A magnetic field sensor capable of detecting fluxes on the order of 1 μT is required to detect the distribution of trapped flux on the cavity surface. A unique distributed magnetic field sensor was successfully designed and constructed to demonstrate the detection of magnetic fluxes less than 500 nT. The sensor leveraged the ultra-high sensitivity of Sentek’s picoDAS to measure the magnetostriction induced vibrations in a commercially available Metglas 2605 SC ribbon that was in physical contact with sensing fiber. Static magnetic fields were detected by applying an alternating current a copper wire proximate to the Metglas 2605SC ribbon to create an AC bias magnetic field. In an alternative approach, an AC bias magnetic field was applied to a special magnetic field sensing fiber with Metglas 2605SC cladding successfully detect a magnetic field flux of a 3 μT. Exhaustive testing was performed to characterize the dependency of sensor response on the direction of the applied magnetic field. Although the special sensing fiber based magnetic field sensor did not exhibit an observable dependence on the direction of the magnetic field, the Metglas 2605SC ribbon sensor exhibited a clear directional dependence. A wide variety of polymer materials were evaluated to enhance the temperature response of an FBG based sensor at cryogenic temperatures. The processing and performance challenges provided the motivation to develop a new simple cryogenic temperature sensor that uses a commercially available fiber optic splice protector. The EVA hot melt tube that becomes adhered to the optical fiber and the polyolefin outer tube that shrinks upon heating in the fusion splicer heater provide the high thermal expansion coefficient necessary to impart a significant strain on the FBG when exposed to cryogenic temperatures. The temperature sensitivity (Δ𝜆𝐵𝑟𝑎𝑔𝑔~ 62 𝑝𝑝𝑚/℃) of the FBG-based sensor was on par with the best reported to date. The simple design, use of readily available cost-effective materials, and well-established processing techniques lends this approach to the creation of hundreds to thousands of temperature sensors on one single optical fiber length. The inherently small form factor also allows for co-location with the distributed magnetic field sensor. In preparation for field testing of the prototype sensing system at the Jefferson Labs in potential Phase II program, several different cable designs were evaluated to package the sensors. The preliminary successful demonstration of fully functional sensing cables provides the foundation for subsequent development efforts to advance the Technology Readiness Level of the technology. The technical feasibility of the proposed approach was successfully demonstrated in this Phase I effort.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Using quantum noise correlation analysis to measure ion temperature

Quantum noise correlation analysis was tested at the proof-of-concept level as a technique to measure ion temperature in a plasma. If eventually successful, this technique could enable a compact, inexpensive, and robust ion temperature diagnostic suitable for a burning plasma environment. Ion temperature is a key parameter determining the fusion performance of a burning plasma, as the fusion cross-section has a strong dependence on ion temperature. This ion temperature diagnostic would require only a small optical view of the plasma through a port to passively record impurity line emission. The instrumentation would be remote from the reactor behind the neutron and bio-shielding. The technique relies solely on quantum correlations of the photons emitted by a plasma impurity to measure ion temperature; there is no grating dispersion of an emission line-width or pulse-height analysis of photon energy. This measurement innovation was tested with instrumentation consisting of two single-photon detectors with high timing resolution, a time-tagging unit, and simple light collection optics. This instrumentation measures the second-order correlation between the light intensity falling on the two detectors. The next steps beyond the proof-of-concept level will be development of diagnostic designs for application of this technique to high-temperature and burning plasmas. Arrays of single-photon avalanche detectors to multiplex measurements of photon correlation will be required to reduce signal integration time to an acceptable duration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

The right conditions for high-precision dynamic temperature and heat capacity measurement via pyrometry and conductivity

The pursuit of accurate bulk temperature T under extreme conditions has been a long-standing goal of the high pressure science community, complicated by a lack of data to inform models. To reach these extremely high-pressure, high-temperature (high P − T) conditions, a combination of dynamic and heated static experiments (e.g., diamond or gem anvil cel experiments) are used. For example, in a diamond anvil cell (DAC) experiment, a sample placed in the DAC is first pressurized. Following pressurization, the sample T is increased either by heating the entire DAC (usually using resistive heating, and limited to ∼1000K) or by applying intense laser power to the sample surfaces. In a dynamic experiment, the process of pressurizing the sample also heats it. In the case of shock physics experiments, such heating is substantial, easily reaching thousands of Kelvin; in our work we have seen T ∼17000K. Most methods of measuring temperature at ambient are not compatible with experiments under these high-pressure, high-temperature conditions: thermocouples break, melt, or have conductivity properties that differ from ambient where they are calibrated; thermometers would melt; both are too slow. As a result most methods are based on non-contact techniques such as x-ray diffraction broadening, neutron scattering, or optical methods. Of these, optical methods using the visible and near-infrared region of the spectrum are the most commonly used as the sources and detectors are readily available. In the case of optical methods the optical depth, and therefore the measurement location, is limited to the surface. When a window or anvil material is used, heat flows from the sample into the window/anvil. Likewise, if the sample undergoes a change in thermodynamic state, such as expansion upon release, different T may be expected. As a result, the surface or apparent temperature T app measurement will differ from the bulk or interior temperature that is desired. This surface measurement must be related to the bulk measurement using thermal transport models and material models. While it is tempting to conclude that one should just use x-ray methods that directly probe the interior, even these methods have been shown to depend on thermal transport and material models. Regardless of the method used to create the high P − T condition, therefore, we must understand the role of thermal transport and material models upon our interpretation of the T measurement, as well as the errors and uncertainties associated with the choice of models used in the analysis. This is a substantial area of research and this paper is by no means a complete survey of the relevant sources of uncertainty. For example, we have yet to begin to address alternate transport models in a detailed manner (e.g., Tan-Ahrens), or the many models that use additional layers to approximate melting, turbulence, or epitaxial phenomena). Likewise, we have not explored the impact upon uncertainty of thermal models that use temperature-dependent thermal transport coefficients, or the wide range of material models that can be applied. Instead, this paper focuses on using one simple model, the Urtiew-Grover model, to understand the sources of error in T measurement so that we may identify how best to focus future research efforts to return the best improvements and avoid working on over-optimizing a single type of measurement. To this end, we work through some of the best and worst case scenarios for T measurement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Effects of Charged Solute-Solvent Interaction on Reservoir Temperature during Subsurface CO2 Injection

A short-term side-effect of CO2 injection is a developing low-pH front that forms ahead of the bulk water injectant, due to differences in solute diffusivity. Observations of downhole well temperature show a reduction in aqueous-phase temperature with the arrival of a low-pH front, followed by a gradual rise in temperature upon the arrival of a high concentration of bicarbonate ion. In this work, we model aqueous-phase transient heat advection and diffusion, with the volumetric energy generation rate computed from solute-solvent interaction using the Helgeson–Kirkham–Flowers (HKF) model, which is based on the Born Solvation model, for computing specific molar heat capacity and the enthalpy of charged electrolytes. A computed injectant water temperature profile is shown to agree with the actual bottom hole sampled temperature acquired from sensors. The modeling of aqueous-phase temperature during subsurface injection simulation is important for the accurate modeling of mineral dissolution and precipitation because forward dissolution rates are governed by a temperature-dependent Arrhenius model.

58 GEOSCIENCES↗

DOE OSTI2022

Evaluation of High-Temperature Martensitic Steels for Heavy-Duty Diesel Piston Applications

Five different commercially available high-temperature martensitic steels were evaluated for use in a heavy-duty diesel engine piston application and compared to existing piston alloys 4140 and microalloyed steel 38MnSiVS5 (MAS). Finite element analyses (FEA) were performed to predict the temperature and stress distributions for severe engine operating conditions of interest, and thus aid in the selection of the candidate steels. Complementary material testing was conducted to evaluate the properties relevant to the material performance in a piston. The elevated temperature strength, strength evolution during thermal aging, and thermal property data were used as inputs into the FEA piston models. Additionally, the long-term oxidation performance was assessed relative to the predicted maximum operating temperature for each material using coupon samples in a controlled-atmosphere cyclic-oxidation test rig. A current commercial steel piston alloy, quenched and tempered martensitic steel 4140, was tested in a single-cylinder research engine for a baseline oxidation and mechanical performance assessment using an abbreviated (50h) durability test plan. The predicted suitability of a candidate piston material in an engine is primarily based on its elevated temperature strength, oxidation resistance, and the complex influence of thermal conductivity, the latter of which is substantially lower for the candidate materials considered in this research relative to the traditional alloys. Although the lower thermal conductivity causes the candidate alloys to operate in higher temperature ranges under identical engine operating conditions and piston geometries, increasing the likelihood of partially or completely negating their strength and oxidation resistance advantages relative to 4140 and MAS steels, this evaluation indicates that several of the candidate piston alloys are predicted to enable improved oxidation resistance under more severe engine operating conditions relative to the current piston materials. However, further evaluation is required to determine if the elevated temperature fatigue strength and durability of these alloys are suitable for more severe engine conditions.

36 MATERIALS SCIENCE↗