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DOE OSTI2021

The critical role of hot carrier cooling in optically excited structural transitions

The hot carrier cooling occurs in most photoexcitation-induced phase transitions (PIPTs), but its role has often been neglected in many theoretical simulations as well as in proposed mechanisms. Here, by including the previously ignored hot carrier cooling in real-time time-dependent density functional theory (rt-TDDFT) simulations, we investigated the role of hot carrier cooling in PIPTs. Taking IrTe2 as an example, we reveal that the cooling of hot electrons from the higher energy levels of spatially extended states to the lower energy levels of the localized Ir–Ir dimer antibonding states strengthens remarkably the atomic driving forces and enhances atomic kinetic energy. These two factors combine to dissolute the Ir–Ir dimers on a timescale near the limit of atomic motions, thus initiating a deterministic kinetic phase transition. We further demonstrate that the subsequent cooling induces nonradiative recombination of photoexcited electrons and holes, leading to the ultrafast recovery of the Ir–Ir dimers observed experimentally. These findings provide a complete picture of the atomic dynamics in optically excited structural phase transitions.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Computational and Experimental Study of Film-Cooling Effectiveness With and Without Downstream Vortex Generators

Downstream vortex generators that involve a pair of rectangular plates arranged in an open V-shape placed just downstream of each film-cooling hole were shown to create flow and vortical structures that entrain lifted film-cooling flow back to the surface and increase its lateral spreading on the surface (GT2020–14317). In this study, computations and measurements were performed to examine the flow mechanisms this vortex generator induces to improve film-cooling effectiveness of a flat plate with the cooling flow emanating from one row of inclined holes. Parameters studied include blowing ratio (BR = 0.75 and 1.0) and temperature ratio (TR = 1.07 and 1.9). Here, the computational study is based on steady Reynolds-averaged Navier–Stokes (RANS) closed by the shear-stress transport (SST) turbulence model with and without conjugate analysis. The experimental study was conducted by using a conjugate heat transfer test rig with a plenum, where cooling flow is introduced. Measurements made include velocity and temperature profiles upstream and downstream of the film-cooling holes as well as the temperature at several locations on the hot and cold sides of the film-cooled flat plate. The computational study was validated by comparing computed results with those from measurements at BR = 0.75 and 1.0 and TR = 1.9. Computational and experimental results are presented to show the effects of BR and TR on the flow structures and how those structures improve the effectiveness of film cooling with and without the downstream vortex generators and with and without conjugate heat transfer.

42 ENGINEERING↗

DOE OSTI2022

Electron Ion Collider Strong Hadron Cooling Injector and ERL

Intra-beam Scattering (IBS) and other diffusion mechanisms in the EIC Hadron Storage Ring (HSR) degrade the beam emittances during a store, with growth times of about 2 hours at the nominal proton energies of 275GeV, 100 GeV, and 41 GeV. Strong Hadron Cooling (SHC) can maintain good hadron beam quality and high luminosity during long collision stores. A novel cooling method ’ Coherent electron Cooling (CeC) ’ is chosen as the baseline SHC method, due to its high cooling rates. An Energy Recovery Linac (ERL) is used to deliver an intense high-quality electron beam for cooling. In this paper, we discuss the beam requirements for SHC-CeC and describe the current status of the injector and ERL designs. Two designs of injector and ERL will be presented: one for dedicated SHC and another one for SHC with precooler.

Wang, E.↗

DOE OSTI2024

Design and Cooling Performance of Additively Manufactured Ceramic Turbine Vanes

Ceramic materials are of significant interest in aviation and power generation gas turbine engines due to their low density and ability to withstand high temperatures. Increased cycle thermal efficiency and higher specific power output is possible by incorporating ceramic components that enable high turbine inlet temperatures and lower required cooling airflow levels. However, ceramics can be difficult and costly to form into the complex shapes used in gas turbine components, often requiring specialized multi-step processes. Furthermore, ceramic components in the hottest areas of a gas turbine, such as vanes or blade shroud seals, will still likely require cooling which is challenging to implement in conventional ceramic manufacturing approaches. Therefore, this study presents a multidisciplinary approach that investigates the design, fabrication, and overall cooling effectiveness evaluation of additively manufactured (AM), polymer derived ceramic (PDC) turbine vanes. A thermo-mechanically optimized vane design was generated, ceramic additive manufacturing of the complex cooling configuration was developed, and quantification of the increase in overall cooling effectiveness was performed in a 1X scale, high-speed facility using infrared thermography. This study produced a PDC AM process, capable of printing complex internal cooling schemes in 1X scale turbine vanes. Furthermore, it was found that the optimized vane more than doubled the overall cooling effectiveness observed in the baseline design, which reasonably agreed with thermomechanical optimization model predictions. Additionally, the optimized ceramic vane outperformed an identical metal vane, in terms of area averaged cooling effectiveness, suggesting that the ceramic vane could operate at reduced coolant flowrates to achieve comparable levels of cooling performance.

Reynolds number↗

DOE OSTI2023

Design and Cooling Performance of Additively Manufactured Ceramic Turbine Vanes

Ceramic materials are of significant interest in aviation and power generation gas turbine engines due to their low density and ability to withstand high temperatures. Increased cycle thermal efficiency and higher specific power output is possible by incorporating ceramic components that enable high turbine inlet temperatures and lower required cooling airflow levels. However, ceramics can be difficult and costly to form into the complex shapes used in gas turbine components, often requiring specialized multi-step processes. Furthermore, ceramic components in the hottest areas of a gas turbine, such as vanes or blade shroud seals, will still likely require cooling which is challenging to implement in conventional ceramic manufacturing approaches. Therefore, this study presents a multidisciplinary approach that investigates the design, fabrication and overall cooling effectiveness evaluation of additively manufactured (AM), polymer derived ceramic (PDC) turbine vanes. A thermo-mechanically optimized vane design was generated, ceramic additive manufacturing of the complex cooling configuration was developed, and quantification of the increase in overall cooling effectiveness was performed in a 1X scale, high-speed facility using infrared thermography. This study produced a PDC AM process, capable of printing complex internal cooling schemes in 1X scale turbine vanes. It was found that the optimized vane more than doubled the overall cooling effectiveness observed in the baseline design, which reasonably agreed with thermomechanical optimization model predictions. Additionally, the optimized ceramic vane outperformed an identical metal vane, in terms of area averaged cooling effectiveness, suggesting that the ceramic vane could operate at reduced coolant flow rates to achieve comparable levels of cooling performance.

Fox, Andrew↗

DOE OSTI2020

Cooling dynamics of two titanium alloys during laser powder bed fusion probed with in situ X-ray imaging and diffraction

Metal parts produced by laser powder bed fusion (LPBF) additive manufacturing exhibit characteristic microstructures comparable to those observed in laser welding. The primary cause of this characteristic microstructure is rapid, localized heating and cooling cycles, which result in extreme thermal gradients where material solidification is followed by fast cooling in the solid state. The final microstructure and mechanical performance are also influenced by pore formation caused by melt pool fluid dynamics. Here, we use high speed, in situ X-ray diffraction to probe the kinetics of cooling and solid-solid phase transitions after laser melting in two aerospace titanium alloys: Ti-6Al-4V, an α + β alloy; and Ti-5Al-5V-5Mo-3Cr, a near-β alloy. We complement these diffraction studies with in situ X-ray imaging to probe melt pool dynamics and pore formation. From these two complementary probes, we quantify pore formation during melting and the subsequent microstructural evolution as the material rapidly cools after solidification. These results are critical for understanding defect formation and residual stress development in different titanium alloys under LPBF conditions and can help inform process models to predict final part performance.

36 MATERIALS SCIENCE↗

DOE OSTI2025

EVALUATION OF OPERATION TEMPERATURES UNDER NATURAL CONVECTION HELIUM FLOW IN A CONFINED CAVITY

The Spallation Neutron Source (SNS) is a high-power accelerator-based pulsed neutron source led by Oak Ridge National Laboratory (ORNL) to achieve high fluxes of neutrons for scientific experiments. Active and passive cooling of the systems and parts forming the SNS have been considered to warrant the safe operation of the facility. The diverse cooling systems make use of conjugated heat transfer mechanisms to provide a stable operation temperature for all components in the machine. Thermal power deposited into stainless-steel piping lines due to particle radiation may reach values of up to 1.2 W/cc in the regions located closer to the center of the lower IRP. These energy deposition levels, in not actively cooled components, such as the transfer-line-outer-vacuum-layer may increase the temperature of the component beyond design requirement limitations. The evaluation of the operation temperatures for the former components relies in the assumption that a low-pressure helium atmosphere provides enough heat removal capacity based on natural convection phenomena. In this work, the evaluation of steady state temperatures in components such as the CMS transfer lines has been evaluated using computational fluid dynamics (CFD), analytical correlations and experimental measurements. The companion experiments were conducted in a closed helium system at pressures varying from 1.1 to 1.5 bar. A copper rod was affixed horizontally between viewing windows and heated at constant power, and measurements were made of both the rod temperature and ambient temperature via a system fiberoptic distributed temperature sensors and RTDs. It was found that the measured heat transfer coefficients agree well with the predictions of Churchill and Chu correlations across the range of cases considered. Additionally, the ambient helium volume above the rod was imaged via background oriented schlieren (BOS), and these data was used to determine the line-averaged density gradients in this region. These gradients were compared to simulation data to validate the predictions of natural convection simulations.

Dominguez-Ontiveros, Elvis [ORNL] (ORCID:000000018↗

NASA NTRS1991

Mixed-Gas Sorption Joule-Thomson Refrigerator

Proposed mixed-gas sorption Joule-Thomson refrigerator provides cooling down to temperature of 70 K. Includes only one stage and no mechanical compressor. Simpler, operates without vibrating, and consumes less power in producing same amount of cooling. Same sorption principle of operation applicable in compressor that chemisorbs oxygen or hydrogen from mixture with helium, neon, and/or other nonreactive gases.

Jones, Jack A.↗

DOE OSTI2025

Dual‐Functional High‐Entropy Polymer Exhibiting Giant Cross‐Energy Couplings at Low Fields

A key component of cooling devices is the transfer of entropy from the cold load to heat sink. An electrocaloric (EC) polymer capable of generating both large electrocaloric effect (ECE) and substantial electroactuation can enable EC cooling devices to pump heat without external mechanisms, resulting in compact designs and enhanced efficiency. However, achieving both high ECE and significant electroactuation remains challenging. Herein, it is demonstrated that poly(vinylidene fluoride‐trifluoroethylene‐chlorofluoroethylene‐double bond) [P(VDF‐TrFE‐CFE‐DB)] tetrapolymers can simultaneously generate high electrocaloric effects and electroactuations under low fields. These P(VDF‐TrFE‐CFE‐DB) tetrapolymers are synthesized through the dehydrochlorination of P(VDF‐TrFE‐CFE) terpolymer. By facile tuning the composition of the initial terpolymer to avoid pure relaxor state, tetrapolymers with optimal DB compositions are achieved, near the critical endpoint of normal ferroelectric phase with diffused phase transition. The nearly vanishing energy barriers between the nonpolar to polar phases result in a strong electrocaloric response and significant electroactuation. Specifically, the P(VDF‐TrFE‐CFE‐DB) tetrapolymer exhibits an EC entropy change Δ S of 100 J kg −1 K −1 under 100 MV m −1 : comparable to state‐of‐the‐art (SOA) EC polymers, while delivering nearly twice the electroactuation of the SOA EC polymers. This work presents a general strategy for developing EC materials that combine large electrocaloric effect and electroactuation at low electric fields.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Converting PBO fibers into carbon fibers by ultrafast carbonization

Here, we report an ultrafast transformation of poly(p-phenylene-2,6-benzobisoxazole) (PBO) fibers into car- bon fibers (CFs) by direct carbonization that eliminates high-cost oxidation in traditional CF conversion. Ultrafast heating and cooling render PBO-derived CFs superlative mechanical properties. ReaxFF atomistic-scale reactive molecular dynamics simulations unveil the PBO to CF conversion mechanism in which ultrafast heating suppresses the O-contained gas release, facilitating all-carbon rings alignment during the carbonization of PBO. These results offer new guidelines for identifying and evaluating alternative CF precursors and fresh perspectives on smart manufacturing of CFs.

42 ENGINEERING↗

DOE OSTI2020

Advanced Anode for Internal Reforming and Thermal Management in Solid Oxide Fuel Cells

Solid oxide fuel cell (SOFC) is an efficient and clean electrical power generation system compared to conventional combustion based technologies with energy efficiency reaching as high as 85-90% in co-generation mode (electricity and heat). Other advantages of SOFCs are hybridization, modularity of construction, small CO 2 foot print per kWh of generated electricity and fuel flexibility. Hydrocarbons present in the gaseous fuel is utilized in SOFCs by internal or external reforming. There are two different internal reforming concepts: Direct Internal Reforming (DIR) and Indirect Internal Reforming (IIR). For DIR operation, the endothermic reforming reaction and the exothermic reaction from the oxidation reaction are operated together in the single unit eliminating the requirement for a separate fuel reformer. This configuration also simplifies the overall system design, making SOFC more attractive and efficient means of producing electrical power. The main advantage of the DIR type of operation is that the H 2 or CO consumption by the electrochemical reaction could directly promote the conversion of methane at the anode side of the fuel cell resulting in high conversion and high efficiency. The DIR operation, however, requires an anode material that has desired dual catalytic (hetero and electro) properties for reforming reaction and electrochemical reactions. The anode materials also need to remain resistant to carbon formation at the operating temperature and atmosphere with stable cell performance. Another requirement is to match the reforming reactions and electrochemical reactions to avoid local cooling or overheating, which can result in mechanical failure due to thermally induced stresses. Direct internal reforming (DIR) of hydrocarbon fuels simplifies the overall SOFC system design making it more attractive and efficient for producing electrical power. Low cost alloy anodes for distributed internal reforming of methane and other hydrocarbon fuels offer increased fuel-flexibility, reliability, and long term performance stability of solid oxide fuel cells (SOFC). The research program examined modification of the chemical compositions and microstructure of high entropy alloy (HEA) anode materials using thermochemical calculations and process simulation and modeling to achieve distributed reforming over the entire anode to eliminate hot zones. Cell fabrication and testing of the HEA anodes using button cell configuration has been performed to demonstrate the advantages of new anode over traditional Ni-YSZ anodes for distributed reforming and carbon free operation. Technical accomplishments include identification and synthesis of HEA carbon-resistant anode, demonstration of reduction in reforming rate confirmed by GC and modelling data validating effectiveness for thermal management in cell/stacks, electrochemical testing of HEA anode in single cell (HEA-GDC||YSZ||LSM-YSZ) and Characterization of pretest and posttest anode materials by TEM and SEM-EDS confirming carbon-free operation.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2022

Characterization of the Insoluble Solids of the 241-17F and 241-49H Pump house Water Sample

Six different water samples from 241-17F and 241-49H pump house were analyzed for chemical and physical characteristics as part of efforts to understand recent mechanical seal failures associated with four new cooling water pumps. A focus of this work was characterization of any “as found” insoluble solids. The insoluble material found in the FCRW (F-Area caustic water treated with sodium chromate at 241-17F) sample are mostly magnetite (Fe3O4 or possibly equipment rust) and silica. It was found that 26% of measured FCRW particles have at least one dimension larger than 15 microns. The insoluble particles found in the source water, domestic water (FDW), are mostly kaolin (aluminosilicate) and some iron oxide. All found FDW particles were larger than 15 microns. The insoluble particles of the other source water, FArea well water (FWW), were mostly iron oxide with some trapped cations like calcium. Only 8% of found FWW particles were bigger than 15 microns.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1974

High temperature polyimide foams for shuttle upper surface thermal insulation

Polyimide foams developed by Monsanto Company were examined for use as upper surface space shuttle thermal insulation. It was found that postcured polyimide foams having a density of 64 kg/cu m (4 lb/cu ft) had acceptable physical properties up to and exceeding 700 K (800 F). Physical tests included cyclic heating and cooling in vacuum, weight and dimensional stability, mechanical strength and impact resistance, acoustic loading and thermal conductivity. Molding and newly developed postcuring procedures were defined.

Ball, G. L., III↗

NASA NTRS1984

Altitude testing of a flight weight, self-cooled, 2D thrust vectoring exhaust nozzle

The Augmented Deflector Exhaust Nozzle (ADEN) was tested in PSL-3 at NASA-Lewis Research Center using an F404 engine. The ADEN is a flight weight Single Expansion Ramp Nozzle with thrust vectoring, an internal cooling system utilizing the available engine fan flow, and a variable area throat controlled by the engine control system. Test conditions included dry and max A/B operation at nozzle pressure ratios from 2.0 to 15.0. High nozzle pressure loading was simulated to verify structural integrity at near maximum design pressure. Nozzle settings covered the full range in throat area and + or - 15 deg deflection angle. Test results demonstrated expected aerodynamic performance, cooling system effectiveness, control system stability, and mechanical integrity.

Wooten, W. H.↗

NASA NTRS1985

Terrestrial impactors at geological boundary events - Comets or asteroids?

In the present evaluation of evidence presented to date for a 26-28 million year periodicity in the extinction record and the age of large, well dated terrestrial impact craters, it is noted that no simple, one-to-one relationship emerges between major asteroid and/or comet impacts, siderophile anomalies, and biological extinction events. While impacts may indeed be the major extinction-triggering event in some or even most cases, either other major events, or secondary effects of the impacts, may be the actual extinction-causing mechanism. Long term obscuration of insolation, planetary cooling, or lethal atmospheric pollution may vary among extinctions, depending on the actual state of the planet and its biota during the geological period in question. The source of 28 million year-period asteroidal impactors, moreover, remains unknown and thereby casts doubt on the entire periodicity scenario.

Weissman, P. R.↗

NASA NTRS1989

Mechano-caloric cooling device

The mechano-caloric effect is potentially useful in the He II temperature range. Aside from demonstration work, little quantification effort appears to have been known since other refrigeration possibilities have been available for some time. Successful He II use-related system examples are as follows: in space, the utilization of the latent heat of vaporization has been quite successful in vapor-liquid phase separation (VLPS) in conjunction with thermomechanical force application in plugs. In magnet cooling systems, the possibility of using the mechano-caloric cooling effect in conjunction with thermo-mechanical circulation pump schemes, has been assessed (but not quantified yet to the extent desirable). A third example is quoted in conjunction with superfluid wind tunnel studies and liquid helium tow tank for surface vessels respectively. In all of these (partially future) R and D areas, the question of refrigerator effectiveness using the mechano-caloric effect appears to be relevant, possibly in conjunction with questions of reliability and simplicity. The present work is concerned with quantification of phenomena including simplified thermodynamic cycle calculations.

Frederking, T. H. K.↗

NASA NTRS1992

Influence of heat flow on early Martian climate

Previous arguments have suggested that the formation of the valley networks on Mars may be explained by higher internal regolith temperatures associated with a much higher heat flow early in the planet's history. It is possible that this higher heat flow could cause groundwater to be closer to the martian surface 3.8 billion years ago, and thus allow the formation of the valley networks by groundwater sapping, without having to invoke surface warming due to an atmospheric greenhouse effect. It was previously shown that, in fact, it may not be possible to completely separate the effects of higher heat flow and atmospheric greenhouse on early Mars. We have more fully explored the parametric space of our set of equations to better determine the sensitivity of the system to variations in any of the factors. The limiting factor in the effectiveness of an atmospheric greenhouse is the total CO2 available in the system. We find that a combination of higher heat flow and atmospheric greenhouse effect on early Mars may more easily explain valley network formation and distribution, even for a cool early sun, than either of these mechanisms separately.

Postawko, Susan↗

NASA NTRS1995

Freezing Behavior of Stratospheric Sulfate Aerosols Inferred from Trajectory Studies

Based on the trajectory analysis presented in this paper, a new mechanism is described for the freezing of the stratospheric sulfate aerosols. Temperature histories based on 10-day back trajectories for six ER-2 flights during AASE-I (1989) and AAOE (1987) are presented. The mechanism requires, as an initial step, the cooling of a H2SO4/H2O aerosol to low temperatures. If a cooling cycle is then followed up by a warming to approximately 196-198 K, the aerosols may freeze due to the growth of the crystallizing embryos formed at the colder temperature. The HNO3 absorbed at colder temperatures may increase the nucleation rate of the crystalling embryos and therefore influence the crystallization of the supercooled aerosols upon warming. Of all the ER-2 flights described, only the polar stratospheric clouds (PSC), observed on the flights of January 24, and 25, 1989 are consistent with the thermodynamics of liquid ternary solutions of H2SO4/HNO3/H2O (type Ib PSCs). For those two days, back trajectories indicate that the air mass was exposed to sulfuric acid tetrahydrate (SAT) melting temperatures about 24 hours prior to being sampled by the ER-2. Temperature histories, recent laboratory measurements, and the properties of glassy solids suggest that stratospheric H2SO4 aerosols may undergo a phase transition to SAT upon warming at approximately 198 K after going through a cooling cycle to about 194 K or lower.

Tabazadeh, A.↗