The Active Thermal Architecture: Active Thermal Control for Small-Satellites
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Lucas Anderson↗
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Single Atomic Iron Catalysts for Oxygen Reduction in Acidic Media: Particle Size Control and Thermal Activation
It remains a grand challenge to replace platinum group metal (PGM) catalysts with earth-abundant materials for the oxygen reduction reaction (ORR) in acidic media, which is crucial for large-scale deployment of proton exchange membrane fuel cells (PEMFCs). Here, we report a high-performance atomic Fe catalyst derived from chemically Fe-doped zeolitic imidazolate frameworks (ZIFs) by directly bonding Fe ions to imidazolate ligands within 3D frameworks. Although the ZIF was identified as a promising precursor, the new synthetic chemistry enables the creation of well-dispersed atomic Fe sites embedded into porous carbon without the formation of aggregates. The size of catalyst particles is tunable through synthesizing Fe-doped ZIF nanocrystal precursors in a wide range from 20 to 1000 nm followed by one-step thermal activation. Similar to Pt nanoparticles, the unique size control without altering chemical properties afforded by this approach is able to increase the number of PGM-free active sites. The best ORR activity is measured with the catalyst at a size of 50 nm. Further size reduction to 20 nm leads to significant particle agglomeration, thus decreasing the activity. Using the homogeneous atomic Fe model catalysts, we elucidated the active site formation process through correlating measured ORR activity with the change of chemical bonds in precursors during thermal activation up to 1100 °C. The critical temperature to form active sites is 800 °C, which is associated with a new Fe species with a reduced oxidation number (from Fe3+ to Fe2+) likely bonded with pyridinic N (FeN4) embedded into the carbon planes. Further increasing the temperature leads to continuously enhanced activity, linked to the rise of graphitic N and Fe–N species. The new atomic Fe catalyst has achieved respectable ORR activity in challenging acidic media (0.5 M H2SO4), showing a half-wave potential of 0.85 V vs RHE and leaving only a 30 mV gap with Pt/C (60 μgPt/cm2). Enhanced stability is attained with the same catalyst, which loses only 20 mV after 10 000 potential cycles (0.6–1.0 V) in O2 saturated acid. The high-performance atomic Fe PGM-free catalyst holds great promise as a replacement for Pt in future PEMFCs.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
CubeSat Active Thermal Control in Support of Advanced Payloads: The Active Thermal Architecture Project
The Active Thermal Architecture (ATA) is an advanced sub-1U Active Thermal Control technology (ATC) for high power payload support in 6U CubeSat form factors and above. The design utilizes a two-stage, single-phase mechanically pumped fluid loop coupled through a two-axis flexible rotary fluid hinge, to reject thermal power to a deployable tracking radiator. A COTS Ricor K508N cryocooler forms the second stage and provides cryogenic cooling to a custom Kevlar detector mount through a TMT pyrolytic graphene thermal strap. Passive vibration isolation and damping technologies prevent the transfer of jitter to the satellite systems. The ATA design utilizes state-of-the-art 3D fabrication techniques such as Ultrasonic Additive Manufacturing (UAM) to directly embed the working fluid channels into the HX, radiator, and CubeSat chassis allowing for the miniaturization and simplification of the ATA system into an integrated thermal control solution. This paper will focus on the design and ground-based characterization and qualification of the ATA system and provide performance metrics for its use as a thermal support subsystem for advanced infrared electro-optical CubeSat payloads. The ATA project is funded through a NASA Small Satellite Technology Program (SSTP) and is a partnership between the Center for Space Engineering at Utah State University and the Jet Propulsions Laboratory. The ATA active thermal control system has been raised to a TRL of 6 and hopes to provide payload support to advanced missions such as the SABER-Lite and JPL CIRAS projects.
Mok, Mason↗
Stress-dependent activation entropy in thermally activated cross-slip of dislocations
Cross-slip of screw dislocations in crystalline solids is a stress-driven thermally activated process essential to many phenomena during plastic deformation, including dislocation pattern formation, strain hardening, and dynamic recovery. Molecular dynamics (MD) simulation has played an important role in determining the microscopic mechanisms of cross-slip. However, due to its limited timescale, MD can only predict cross-slip rates in high-stress or high-temperature conditions. The transition state theory can predict the cross-slip rate over a broad range of stress and temperature conditions, but its predictions have been found to be several orders of magnitude too low in comparison to MD results. This discrepancy can be expressed as an anomalously large activation entropy whose physical origin remains unclear. Here, we resolve this discrepancy by showing that the large activation entropy results from anharmonic effects, including thermal softening, thermal expansion, and soft vibrational modes of the dislocation. We expect these anharmonic effects to be significant in a wide range of stress-driven thermally activated processes in solids.
Science & Technology - Other Topics↗
Thermal Activation of Zirconium(IV) Acetylacetonate Catalysts to Enhance Polyurethane Synthesis and Reprocessing
Carbamate formation and exchange catalysts enable efficient polyurethane (PU) manufacturing, as well as emerging recycling and reprocessing methods for PU thermosets. Zirconium β-diketonate complexes, such as Zr acetylacetonate [Zr(acac) 4 ], are effective alternatives to toxic organotin catalysts that have been used for PU reprocessing. Here, we report that Zr(acac) 4 undergoes a thermally activated process in the PU network during reprocessing that transforms it into a more active carbamate exchange catalyst. This process is associated with the irreversible loss of acetylacetonate ligands and is not observed for the more sterically hindered Zr 2,2,6,6-tetramethyl-3,5-heptanedione [Zr(tmhd) 4 ] complex. Crossover experiments between PU thermoplastics indicated enhanced carbamate exchange after the thermal activation of Zr(acac) 4 in the presence of one of the PUs, whereas a sample of Zr(acac) 4 activated in the absence of the PU had no catalytic activity. Thermal gravimetric analysis suggested that this process is associated with the loss of one protonated acac ligand. Stress relaxation analysis of PU thermosets indicated a distinct change in the characteristic relaxation time associated with the thermal activation of Zr(acac) 4 at temperatures above 140 °C; no such change was observed for samples reprocessed using Zr(tmhd) 4 . Density functional theory and molecular experiments suggest that irreversible ligand exchange of acac with alkoxide or carbamate reduces the activation energy for urethane formation and reversion. Furthermore, the Zr(acac) 4 catalyst activated in the presence of a PU’s polyol precursor provided more porous and less dense PU foams compared to those made using the unactivated Zr(acac) 4 catalyst. Furthermore, these findings are important for developing improved PU synthesis and recycling processes. Thermally activating a catalyst during reprocessing may provide more nuanced control of the in-use and reprocessing characteristics of PU thermosets.
Alcohols↗
Intramolecular Noncovalent Interactions Facilitate Thermally Activated Delayed Fluorescence (TADF)
In the conventional molecular design of thermally activated delayed fluorescence (TADF) organic emitters, simultaneously achieving a fast rate of reverse intersystem crossing (RISC) from the triplet to the singlet manifold and a fast rate of radiative decay is a challenging task. A number of recent experimental data, however, point to TADF emitters with intramolecular π-π interactions as a potential pathway to overcome the issue. Here, we report a comprehensive investigation of TADF emitters with intramolecular π…π or lone-pair…π non-covalent interactions. We uncover the impact of those intramolecular non-covalent interactions on the TADF properties. In particular, we find that folded geometries in TADF molecules can trigger lone-pair…π interactions, introduce a n → π* character of the relevant transitions, enhance the singlet-triplet spin-orbit coupling, and ultimately greatly facilitate the RISC process. Furthermore, this work provides a robust foundation for the molecular design of a novel class of highly efficient TADF emitters in which intramolecular non-covalent interactions play a critical function.
36 MATERIALS SCIENCE↗
Ionization-induced thermally activated defect-annealing process in SiC
Ionizing events can lead to panoply of irradiation effects, and in silicon carbide (SiC), they drastically modify the defect production rate or the initial density. To better comprehend this phenomenon, 6H-SiC single crystals were first predamaged using low-velocity 100-keV Fe + ions at three fluences in the range of 10 14 cm -2 to induce three different initial disorder levels peaking at values between ~0.8 and 1 (1 corresponding to full amorphization). Crystals were then submitted to swift heavy ion irradiation in the 10 13 cm -2 fluence range at both low (~100 K) and high (~770 K) temperature. Rutherford backscattering spectrometry in channeling conditions revealed that swift ions allow annealing part of the initial damage, the recovery efficiency increasing with the irradiation temperature and reaching 75% in initially severely disordered crystals. This temperature effect has been qualitatively predicted by molecular dynamics simulations. Transmission electron microscopy allowed imaging both the recovery and the difference in the microstructure of the layers irradiated at low or high temperature. Recovery cross sections are discovered to lie in the range of a few square nanometers, consistent with previously reported values. A scenario for a general, two-step annealing mechanism referred to as an ionization-activated, thermally assisted defect-annealing (IATADA) process is proposed. This mechanism rationalizes the diverse descriptions reported so far in the literature.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Active Thermal Architecture for Cryogenic Optical Instrumentation (ATA): Active Thermal Control for CubeSats and Small-Satellites
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Charles Swenson↗
Host-Free Yellow-Green Organic Light-Emitting Diodes with External Quantum Efficiency over 20% Based on a Compound Exhibiting Thermally Activated Delayed Fluorescence
Thermally activated delayed fluorescent (TADF) materials are advantageous as emitters in organic light-emitting diodes (OLEDs) due to their ability to utilize all excited states formed by charge recombination for light emission, potentially leading to 100% internal quantum efficiency. As in conventional fluorescent or phosphorescent OLEDs, TADF emitters are commonly doped at a relatively low concentration in a host matrix. However, increasing evidence suggest that balanced ambipolar transport properties and small aggregation-induced fluorescence quenching allows TADF emitters to be used alone in so-called host-free OLEDs. Here, we report on host-free OLEDs in which the EMLs consist solely of a yellow-green-emitting TADF compound, 5,5'-(2,3,5,6-tetra(carbazol-9-yl)-1,4-phenylene)bis(2-(4-(tert-butyl)phenyl)-1,3,4-oxadiazole), TCZPBOX. Devices with this host-free EML yield a maximum external quantum efficiency (EQE) of 21%, current efficacy (CE) of 73 cd/A, and power efficacy (PE) of 79 lm/W at a luminance of 10 cd/m 2 . At a high luminance of 10,000 cd/m 2 , a high EQE of 13% is maintained. A maximum luminance of 120,000 cd/m2 is reached at an applied voltage of 9.8 V. When TCZPBOX was doped in the host of 2,6-di(carbazol-9-yl)-pyridine (PYD2) at 40 wt. %, the device yielded a maximum EQE of 28%, CE of 94 cd/A, and PE of 100 lm/W at 10 cd/m 2 .
36 MATERIALS SCIENCE↗
CubeSat Active Thermal Control in Support of Advanced Payloads: The Active Thermal Architecture
No abstract provided
Mok, Mason↗
Thermal Performance of Orion Active Thermal Control System With Seven-Panel Reduced-Curvature Radiator
The active thermal control system (ATCS) of the crew exploration vehicle (Orion) uses radiator panels with fluid loops as the primary system to reject heat from spacecraft. The Lockheed Martin (LM) baseline Orion ATCS uses eight-panel radiator coated with silver Teflon coating (STC) for International Space Station (ISS) missions, and uses seven-panel radiator coated with AZ 93 white paint for lunar missions. As an option to increase the radiator area with minimal impact on other component locations and interfaces, the reduced-curvature (RC) radiator concept was introduced and investigated here for the thermal perspective. Each RC radiator panel has 15 percent more area than each Lockheed Martin (LM) baseline radiator panel. The objective was to determine if the RC seven-panel radiator concept could be used in the ATCS for both ISS and lunar missions. Three radiator configurations the LM baseline, an RC seven-panel radiator with STC, and an RC seven-panel radiator with AZ 93 coating were considered in the ATCS for ISS missions. Two radiator configurations the LM baseline and an RC seven-panel radiator with AZ 93 coating were considered in the ATCS for lunar missions. A Simulink/MATLAB model of the ATCS was used to compute the ATCS performance. Some major hot phases on the thermal timeline were selected because of concern about the large amount of water sublimated for thermal topping. It was concluded that an ATCS with an RC seven-panel radiator could be used for both ISS and lunar missions, but with two different coatings STC for ISS missions and AZ 93 for lunar missions to provide performance similar to or better than that of the LM baseline ATCS.
Wang, Xiao-Yen J.↗
Identification of Radiolytically-Active Thermal Transition Phases in Boehmite
Abstract not provided
Huestis, Patricia L.↗
Multi-physics Preconditioning for Thermally Activated Batteries
Thermal batteries, also known as molten-salt batteries, are single-use reserve power systems activated by pyrotechnic heat generation, which transitions the solid electrolyte into a molten state. The simulation of these batteries relies on multiphysics modeling to evaluate performance and behavior under various conditions. This paper presents advancements in scalable preconditioning strategies for the Thermally Activated Battery Simulator (TABS) tool, enabling efficient solutions to the coupled electrochemical systems that dominate computational costs in thermal battery simulations. We propose a hierarchical block Gauss-Seidel preconditioner implemented through the Teko package in Trilinos, which effectively addresses the challenges posed by tightly coupled physics, including charge transport, porous flow, and species diffusion. The preconditioner leverages scalable subblock solvers, including smoothed aggregation algebraic multigrid (SA-AMG) methods and domain-decomposition techniques, to achieve robust convergence and parallel scalability. Strong and weak scaling studies demonstrate the solver’s ability to handle problem sizes up to 51.3 million degrees of freedom on 2048 processors, achieving near sub-second setup and solve times for the end-to-end electrochemical solve. These advancements significantly improve the computational efficiency and turnaround time of thermal battery simulations, paving the way for higher-resolution models and enabling the transition from 2D axisymmetric to full 3D simulations.
25 ENERGY STORAGE↗
Assessment and Accommodation of Thermal Expansion of the Internal Active Thermal Control System Coolant During Launch to On-Orbit Activation of International Space Station Elements
The International Space Station (ISS) employs an Internal Active Thermal Control System (IATCS) comprised of several single-phase water coolant loops. These coolant loops are distributed throughout the ISS pressurized elements. The primary element coolant loops (i.e., US Laboratory module) contain a fluid accumulator to accommodate thermal expansion of the system. Other element coolant loops are parasitic (i.e., Airlock), have no accumulator, and require an alternative approach to insure that the system Maximum Design Pressure (MDP) is not exceeded during the Launch to Activation phase. During this time the element loop is a stand alone closed individual system. The solution approach for accommodating thermal expansion was affected by interactions of system components and their particular limitations. The mathematical solution approach was challenged by the presence of certain unknown or not readily obtainable physical and thermodynamic characteristics of some system components and processes. The purpose of this paper is to provide a brief description of a few of the solutions that evolved over time, a novel mathematical solution to eliminate some of the unknowns or derive the unknowns experimentally, and the testing and methods undertaken.
Edwards, J. Darryl↗
Assessment and Accommodation of Thermal Expansion of the Internal Active Thermal Control System Coolant During Launch to On-Orbit Activation of International Space Station Elements
The International Space Station (ISS) employs an Internal Active Thermal Control System (IATCS) comprised of several single-phase water coolant loops. These coolant loops are distributed throughout the ISS pressurized elements. The primary element coolant loops (i.e. U.S. Laboratory module) contain a fluid accumulator to accomodate thermal expansion of the system. Other element coolant loops are parasitic (i.e. Airlock), have no accumulator, and require an alternative approach to insure that the system maximum design pressure (MDP) is not exceeded during the Launch to Activation (LTA) phase. During this time the element loops is a stand alone closed system. The solution approach for accomodating thermal expansion was affected by interactions of system components and their particular limitations. The mathematical solution approach was challenged by the presence of certain unknown or not readily obtainable physical and thermodynamic characteristics of some system components and processes. The purpose of this paper is to provide a brief description of a few of the solutions that evolved over time, a novel mathematical solution to eliminate some of the unknowns or derive the unknowns experimentally, and the testing and methods undertaken.
Edwards, Darryl↗
Thermally Activated Delayed Fluorescence (TADF) Path toward Efficient Electroluminescence in Purely Organic Materials: Molecular Level Insight
Since the seminal work of Tang and Vanslyke in 1987 on small-molecule emitters and that of Friend and co-workers in 1990 on conjugated-polymer emitters, organic light-emitting diodes (OLEDs) have attracted much attention from academia as well as industry, as the OLED market is estimated to reach the $30B mark by the end of 2018. In these first-generation organic emitters, on the basis of simple spin statistics, electrical excitation resulted in the formation of ~25% singlet excitons and ~75% triplet excitons. Radiative decay of the singlet excitons to the singlet ground state leads to a prompt fluorescence emission, while the triplet excitons only lead to weak phosphorescence due to the very small spin-orbit couplings present in purely organic molecules. The consequence is a ca. 75% energy loss, which triggered wide-ranging efforts to try and harvest as many of the triplet excitons as possible. In 1998, Thompson, Forrest, and their co-workers reported second-generation OLED emitters based on coordination complexes with heavy transition metals (e.g., iridium or platinum). Here, the triplet excitons stimulate efficient and fast phosphorescence due to the strong spin-orbit couplings enabled by the heavy-metal atoms. Internal quantum efficiencies (IQE) up to 100% have been reported, which means that for every electron injected into the device, a photon is emitted. Here, while these second-generation emitters are those mainly exploited in current OLED applications, there is strong impetus from both cost and environmental standpoints to find new ways of exploiting purely organic emitters, which in addition can offer greater flexibility to fine tune the electronic and optical properties by exploiting the synthetic organic chemistry toolbox.
36 MATERIALS SCIENCE↗
Multi-fidelity electrochemical modeling of thermally activated battery cells
Thermally activated batteries undergo a series of coupled physical changes during activation that influence battery performance. These processes include energetic material burning, heat transfer, electrolyte phase change, capillary-driven two-phase porous flow, ion transport, electrochemical reactions, and electrical transport. Several of these processes are strongly coupled and have a significant effect on battery performance, but others have minimal impact or may be suitably represented by reduced-order models. Additionally, assessing the relative importance of these phenomena must be based on comparisons to a high-fidelity model including all known processes. In this work, we first present and demonstrate a high-fidelity, multi-physics model of electrochemical performance. This novel multi-physics model enables predictions of how competing physical processes affect battery performance and provides unique insights into the difficult-to-measure processes that happen during battery activation. We introduce four categories of model fidelity that include different physical simplifications, assumptions, and reduced-order models to decouple or remove costly elements of the simulation. Using this approach, we show an order-of-magnitude reduction in computational cost while preserving all design-relevant quantities of interest within 5 percent. The validity of this approach and these model reductions is demonstrated by comparison between results from the full fidelity model and the different reduced models.
25 ENERGY STORAGE↗