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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

The Future Electron-Ion Collider

Generalized Parton Distributions include rich information and became a powerful tool for studying hadron structure. Deeply Virtual Compton Scattering is the golden channel to access GPDs. The development of high luminosity and high-acceptance detectors (Electron-Ion Collider) allows physicists to overcome the difficulty of DVCS measurements. The outstanding performance of the accelerator performs the eA collisions at the center of mass energy from 20 to 140 GeV, while the luminosity at the scale of 1034 cm?2s?1. The new type of high-density crystal, PWO-II, produced by CRYTUR in 2×2×20 cm3 will be utilized in the calorimeter. The transparency of PWO-II crystals is > 70% at 620 nm, > 60% at 420 nm, and >35% at 360 nm. The crystals also show good radiation hardness under 30 Gy radiation exposure. Ten PWO-II crystals have a uniform light yield at 30 p.e./MeV, providing sufficient light yield to reduce the fluctuation of the energy measurements. Near 3000 crystals were constructed inside the 12-sided polygon supporting structure in the simulation. The island clustering algorithm was used for reconstructed the energy. The energy resolution study by the particle gun shows the stochastic term and constant term are 1.8% and 1.2%, respectively. The spatial resolution of NEEMC varies from 5% to 15% of the crystal?s width depending on the particle?s incident angle. The pion rejection of NEEMC can reach 103 with electron efficiency > 85% when the particle?s energy is larger than 1GeV. The Pi0- identified efficiency study can be interpreted as finding the local maxima in the single cluster caused by two high energy close photons. The study results show that efficiency is nearly 100% for pi0 energy is smaller than 10 GeV, and efficiency drops to 30% with 20 GeV pi0. The new type of 3x3 pixelated AC-LGAD were wire bonded to ALTIROC for performance test. The cross-talk between the adjacent channels is about 20% for VPA and 10% for TZ. A series of the TDC characteristic measurements show that the jitter for both preamplifiers is about 20 ps, and the time-walk effect is mild for inject charge > 12 pF. Furthermore, the beta source radiation results quantify the sharing scale of the 3x3 pixels AC-LGAD (? 20%). The electronics simulation study results show no significant changes in the spatial resolution, whether ADC resolution is 8, 10, or 12 bits. The 8-bit ADC is decided to use in the EICROC as it has a smaller size and power consumption than the 10-bit and 12-bit ADC. The ECCE is one of the full detector proposals for EIC. The new type of DVCS generator, called TOPEG, is used to generate the high acceptance beam configurations of 18×110 GeV2 electron and 4He. The acceptance study shows a -1.8 < ? < -1.4 gap between the BEMC and EEMC. The 10?x,y geometry cut is applied on the Roman Pots, so the acceptance of Roman Pots quickly drops to 0% when the polar angle of the recoiled 4He < 2 mrad. This primary ECCE simulation study suggests extending the acceptance of BEMC longitudinally as the structure limits the radial size of EEMC. The acceptance of the Roman Pots is still challenging. In 2023, The overall design of ePIC was finalized by merging two full detector proposals (ECCE and ATHENA) after a series of intensive simulation studies.

Wang, Pu-Kai↗
DOE OSTI2025

Autonomous direct freeform fabrication strategy for multi-axis additive manufacturing

Multi-axis additive manufacturing (M-AM) enables precise material deposition along both planar and curved layers, eliminating the need for support structures through a continuous material deposition approach. In contrast to conventional 2-dimensional planar layers constrained to a fixed building orientation, the deposition on freeform layers demands the specification of guided curves to determine material deposition directions which are no longer to be fixed to a build direction. There are challenges that arise when fabricating components with multiple “build” directions, necessitating the decomposition of geometries and the specification of guided curves for the resulting volumes. Furthermore, multi-axis systems introduce heightened challenges due to an increased degree of freedom in motion. Consequently, the potential risks of collision between the deposited geometry and the motion platform become a notable concern. This research proposes a freeform layering algorithm to address the challenge of seamless transitions between planar and curved layers in the process planning of M-AM. The algorithm computes 3D “printable” layers by leveraging topological information derived from the geometry to be built and integrates collision-free manufacturability considerations into the computational process. These accumulated volumes serve as a “substrate” and support volumes for subsequent deposition, allowing later layers to be built without the need for additional support material. In conclusion, the proposed method successfully devises a freeform layering approach suitable for intricate models that demand substantial support, thus enabling the fabrication of diverse geometries in a manner previously unachievable.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Comparative study of x ray and microwave emissions during solar flares

The work supported by the grant consisted of two projects. The first project involved making detailed case studies of two flares using SMM data in conjunction with ground based observations. The first flare occurred at 1454 UT on June 20, 1989 and involved the eruption of a prominence near the limb. In the study we used data from many wavelength regimes including the radio, H-alpha, hard X-rays, and soft X-rays. We used a full gyrosynchrotron code to model the apparent presence of a 1.4 GHz source early in the flare that was in the form of a large coronal loop. The model results lead us to conclude that the initial acceleration occurs in small, dense loops which also produced the flare's hard X-ray emission. We also found evidence that a source at 1.4 GHz later in the event was due to second harmonic plasma emission. This source was adjacent to a leg of the prominence and comes from a dense column of material in the magnetic structure supporting the prominence. Finally, we investigated a source of microwaves and soft X-rays, occurring approximately 10 min after the hard X-ray peak, and calculate a lower limit for the density of the source. The second flare that was studied occurred at 2156 UT on June 20, 1989 and was observed with the VLA and the Owens Valley Radio Observatory (OVRO) Frequency Agile Array. We have developed a gyrosynchrotron model of the sources at flare peak using a new gyrosynchrotron approximation which is valid at very low harmonics of the gyrofrequency. We found that the accelerated particle densities of the sources decreased much more with radius from the source center than had been supposed in previous work, while the magnetic field varied less. We also used the available data to analyze a highly polarized source which appeared late in the flare. The second project involved compiling a statistical base for the relative timing of the hard X-ray peak, the turbulent and blue-shift velocities inferred from soft X-ray line emissions observed by SMM and the microwave peak as determined from ground-based observations. This timing was then used to aid the testing of newly developed global models for flares that incorporate the global magnetic topology as well as the electron dynamics that are responsible for the hard X-rays and microwaves.

Winglee, Robert M.↗
DOE OSTI2023

Comparison of the Neutronic Performance of IRP-1 and IRP-2 at SNS

The Spallation Neutron Source (SNS) operated from start-up, in May 2006, through December, 2017 before replacing the Inner Reflector Plug (IRP). This component is the most costly and time-consuming “regular maintenance” replacement foreseen in the operation of the First Target Station (FTS). The IRP includes beryllium reflector blocks, steel and aluminum support structures, aluminum moderator vessels (which in turn include gadolinium and cadmium neutron poisons) and water coolant systems. The lifetime of this multi-million dollar component is driven by poison and decoupler burnup in moderator vessels. The moderators include these neutron poisons to best match neutron beam performance with scattering instrument needs. The burnup that comes with use changes the performance of the moderators until they no longer server their intended purpose. The reasonable desire to maximize the IRP lifetime means that the moderator performance at the Beginning Of Life (BOL) is significantly “over poisoned” and different from the performance at moderator End Of Life (EOL). Upon installation of the second IRP article, IRP-2, the SNS Neutronics team characterized the performance of the neutron beamlines in order to assess the differences between them, primarily by comparing the EOL performance of IRP-1 to the BOL performance of IRP-2. While IRP-2 was largely similar to IRP-1 in its conceptual design, there were some differences in the specific design of IRP-2 to support enhanced manufacturability, and the change from IPR-1 to IRP-2 coincided with the replacement of the light water in the IRP cooling loop with heavy water, as had been intended in the SNS design but not implemented during construction because of heavy water availability.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Structure and dynamics of ethane confined in silica nanopores in the presence of CO 2

Fundamental understanding of the subcritical/supercritical behavior of key hydrocarbon species inside nano-porous matrices at elevated pressure and temperature is less developed compared to bulk fluids, but this knowledge is of great importance for chemical and energy engineering industries. This study explores in detail the structure and dynamics of ethane (C 2 H 6 ) fluid confined in silica nanopores, with a focus on the effects of pressure and different ratios of C 2 H 6 and CO 2 at non-ambient temperature. Quasi-elastic neutron scattering (QENS) experiments were carried out for the pure C 2 H 6 , C 2 H 6 :CO 2 = 3:1, and 1:3 mixed fluids confined in 4-nm cylindrical silica pores at three different pressures (30 bars, 65 bars, and 100 bars) at 323 K. Two Lorentzian functions were required to fit the spectra, corresponding to fast and slow translational motions. No localized motions (rotations and vibrations) were detected. Higher pressures resulted in hindrances of the diffusivity of C 2 H 6 molecules in all systems investigated. Pore size was found to be an important factor, i.e., the dynamics of confined C 2 H 6 is more restricted in smaller pores compared to the larger pores used in previous studies. Molecular dynamics simulations were performed to complement the QENS experiment at 65 bars, providing supportive structure information and comparable dynamic information. The simulations indicate that CO 2 molecules are more strongly attracted to the pore surface compared to C 2 H 6 . The C 2 H 6 molecules interacting with or near the pore surface form a dense first layer (L1) close to the pore surface and a second less dense layer (L2) extending into the pore center. Both the experiments and simulations revealed the role that CO 2 molecules play in enhancing C 2 H 6 diffusion (“molecular lubrication”) at high CO 2 :C 2 H 6 ratios. The energy scales of the two dynamic components, fast and slow, quantified by both techniques, are in very good agreement. Herein, the simulations identified the fast component as the main contributor to the dynamics. Molecule motions in the L2 region are mostly responsible for the dynamics (fast and slow) that can be detected by the instrument.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2000

A Robust Biomarker

Polymers of bacterial origin, either through cell secretion or the degraded product of cell lysis, form isolated mucoidal strands as well as well-developed biofilms on interfaces. Biofilms are structurally and compositionally complex and are readily distinguishable from abiogenic films. These structures range in size from micrometers to decimeters, the latter occurring as the well-known, mineralised biofilms called stromatolites. Compositionally bacterial polymers are greater than 90 % water, with while the majority of the macromolecules forming the framework of the polymers consisting of polysaccharides (with and some nucteic acids and proteins). These macromolecules contain a vaste amount of functional groups, such as carboxyls, hydroxyls, and phosphoryls which are implicated in cation-binding. It is the elevated metal- binding capacity which provides the bacterial polymer with structural support and also helps to preserves it for up to 3.5 b.y. in the terrestrial rock record. The macromolecules, thus, can become rapidly mineralised and trapped in a mineral matrix. Through early and late diagenesis (bacterial degradation, burial, heat, pressure and time) they break down, losing the functional groups and, gradually, their hydrogen atoms. The degraded product is known as "kerogen". With further diagenesis and metamorphism, all the hydrogen atoms are lost and the carbonaceous matter becomes graphite. until the remnant carbonaceous material become graphitised. This last sentence reads a bit as if ALL these macromolecules break down and end up as graphite., but since we find 441 this is not true for all of the macromolecules. We have traced fossilised polymer and biofilms in rocks from throughout Earth's history, to rocks as old as the oldest being 3.5 b.y.-old. Furthermore, Time of Flight Secondary Ion Mass Spectrometry has been able to identify individual macromolecules of bacterial origin, the identities of which are still being investigated, in all the samples containing fossil biofilm, including the 3.5 b.y..-old carbonaceous cherts from South Africa and Australia. As a result of the unique compositional, structural and "mineralisable" properties of bacterial polymer and biofilms, we conclude that bacterial polymers and biofilms constitute a robust and reliable biomarker for life on Earth and could be a potential biomarker for extraterrestrial life.

Westall, F.↗
NASA NTRS1993

Gravitoinertial force level influences arm movement control

1. The ability to move the forearm between remembered elbow joint angles immediately after rapid increases or decreases of the background gravitoinertial force (G) level was measured. The movements had been well-practiced in a normal 1G environment before the measurements in high-(1.8G) and low-force (0G) environments. The forearm and upper arm were always unsupported to maximize the influence of altered G-loading and to minimize extraneous cues about arm position. 2. Horizontal and vertical movement planes were studied to measure the effects of varying the G load in the movement plane within a given G background. Rapid and slow movements were studied to assess the role of proprioceptive feedback. 3. G level did not affect the amplitude of rapid movements, indicating that subjects were able to plan and to generate appropriate motor commands for the new G loading of the arm. The amplitude of slow movements was affected by G level, indicating that proprioceptive feedback is influenced by G level. 4. The effects of G level were similar for horizontal and vertical movements, indicating that proprioceptive information from supporting structures, such as the shoulder joint and muscles, had a role in allowing generation of the appropriate motor commands. 5. The incidence and size of dynamic overshoots were greater in 0G and for rapid movements. This G-related change in damping suggests a decrease in muscle spindle activity in 0G. A decrease in muscle spindle activity in 0G and an increase in 1.8G are consistent with the results of our prior studies on the tonic vibration reflex, locomotion, and perception of head movement trajectory in varying force backgrounds.

NASA Program Space Physiology and Countermeasures↗
DOE OSTI2023

ARCUS Vertical-Axis Wind Turbine (Final Scientific/Technical Report)

While land-based wind energy has become economically competitive with traditional energy generation sources in the U.S., offshore wind is not. For floating offshore wind this difference is even more substantial where the levelized cost of energy (LCOE) is projected to be around 3-5 times more expensive than land-based wind. The turbine capital costs represent around 50% of the LCOE for land-based wind sites, but the increased system costs for floating offshore wind reduce this to 20%. The platform and mooring costs are the single largest contributor to the LCOE for floating offshore wind where their mass must counteract the overturning moment caused by the turbine’s thrust force. Despite the high costs of the platform and relatively low cost of the turbine, current offshore wind turbines are designed essentially the same as for land-based sites. Reducing the LCOE is the greatest challenge to realize the benefits of sustained development of floating offshore wind in the U.S. Reducing the complicated system costs of floating offshore wind will enable the industry to continue to grow and outpace current projections if reduced cost curves can be reached. The ideal wind energy system would remove all mass and cost that is not directly capturing energy from the wind. For floating offshore wind energy systems, this objective is even more significant as increased mass above the water level must be supported by larger and more expensive floating platforms. For this reason, vertical-axis wind turbines (VAWTs) are ideal for floating offshore sites and have several advantages over horizontal-axis wind turbines (HAWTs) at this scale. Large VAWTs offer opportunities for improved energy capture over HAWTs as single units and with reduced wind plant aerodynamic losses through enhanced wake recovery. Additionally, the platform-level placement of the VAWT drivetrain greatly reduces the demands placed on the floating platform and its mass and cost. The ARCUS vertical-axis wind turbine concept (U.S. 11,421,650 B2) is an iteration beyond traditional Darrieus-type VAWTs that replaces the rigid tower with blades that are bent into shape and held in place with tensioned center supports, like a bow. The ARCUS design has been shown to further decrease the VAWT rotor mass properties, with a 50% reduction over traditional Darrieus VAWTs quantified in the ATLANTIS program. The ARCUS VAWT’s efficient use of material for the rotor and turbine support structures combined with its lowered center of gravity enables a tension-leg platform (TLP) with simplified installation procedures. TLPs have been an emerging platform architecture in the Oil and Gas industry and demonstrated to have the lowest hull mass requirements while maintaining stability with minimal roll and pitch deflections in operation. A 22 MW ARCUS turbine has been designed with a three-column TLP that enables quayside integration of the turbine while maintaining system stability during tow-out and installation and having optimal mass and cost properties. A comprehensive analysis shows the optimal ARCUS TLP system design minimizes LCOE through efficient material usage and increased energy capture to yield a competitive LCOE estimate of $\$$55/MWh. A comparison with a reference HAWT, having the same swept area, quantifies the advantages that helped to produce this improved LCOE for the ARCUS concept: (1) 30% reduction in total turbine mass, (2) 70% reduction in turbine center of gravity, and (3) 45% increase in energy production over what is optimal for a HAWT. Intellectual property has been generated through the ATLANTIS program providing opportunities to further reduce the LCOE and improve the performance of the ARCUS turbine and TLP system, expanding the list of innovations to support commercial development of the ARCUS concept.

17 WIND ENERGY↗
NASA NTRS2008

Electromagnetically Clean Solar Arrays

The term 'electromagnetically clean solar array' ('EMCSA') refers to a panel that contains a planar array of solar photovoltaic cells and that, in comparison with a functionally equivalent solar-array panel of a type heretofore used on spacecraft, (1) exhibits less electromagnetic interferences to and from other nearby electrical and electronic equipment and (2) can be manufactured at lower cost. The reduction of electromagnetic interferences is effected through a combination of (1) electrically conductive, electrically grounded shielding and (2) reduction of areas of current loops (in order to reduce magnetic moments). The reduction of cost is effected by designing the array to be fabricated as a more nearly unitary structure, using fewer components and fewer process steps. Although EMCSAs were conceived primarily for use on spacecraft they are also potentially advantageous for terrestrial applications in which there are requirements to limit electromagnetic interference. In a conventional solar panel of the type meant to be supplanted by an EMCSA panel, the wiring is normally located on the back side, separated from the cells, thereby giving rise to current loops having significant areas and, consequently, significant magnetic moments. Current-loop geometries are chosen in an effort to balance opposing magnetic moments to limit far-0field magnetic interactions, but the relatively large distances separating current loops makes full cancellation of magnetic fields problematic. The panel is assembled from bare photovoltaic cells by means of multiple sensitive process steps that contribute significantly to cost, especially if electomagnetic cleanliness is desired. The steps include applying a cover glass and electrical-interconnect-cell (CIC) sub-assemble, connecting the CIC subassemblies into strings of series-connected cells, laying down and adhesively bonding the strings onto a panel structure that has been made in a separate multi-step process, and mounting the wiring on the back of the panel. Each step increases the potential for occurrence of latent defects, loss of process control, and attrition of components. An EMCSA panel includes an integral cover made from a transparent material. The silicone cover supplants the individual cover glasses on the cells and serves as an additional unitary structural support that offers the advantage, relative to glass, of the robust, forgiving nature of the silcone material. The cover contains pockets that hold the solar cells in place during the lamination process. The cover is coated with indium tin oxide to make its surface electrically conductive, so that it serves as a contiguous, electrically grounded shield over the entire panel surface. The cells are mounted in proximity to metallic printed wiring. The painted-wiring layer comprises metal-film traces on a sheet of Kapton (or equivalent) polyimide. The traces include contact pads on one side of the sheet for interconnecting the cells. Return leads are on the opposite side of the sheet, positioned to form the return currents substantially as mirror images of, and in proximity to, the cell sheet currents, thereby minimizing magnetic moments. The printed-wiring arrangement mimics the back-wiring arrangement of conventional solar arrays, but the current-loop areas and the resulting magnetic moments are much smaller because the return-current paths are much closer to the solar-cell sheet currents. The contact pads are prepared with solder fo electrical and mechanical bonding to the cells. The pocketed cover/shield, the solar cells, the printed-wiring layer, an electrical bonding agent, a mechanical-bonding agent, a composite structural front-side face sheet, an aluminum honeycomb core, and a composite back-side face sheet are all assembled, then contact pads are soldered to the cells and the agents are cured in a single lamination process.

Stem, Theodore G.↗
NASA NTRS2013

An Active Heater Control Concept to Meet IXO Type Mirror Module Thermal-Structural Distortion Requirement

Flight mirror assemblies (FMAs) of large telescopes, such as the International X-ray Observatory (IXO), have very stringent thermal-structural distortion requirements. The spatial temperature gradient requirement within a FMA could be as small as 0.05 C. Con ventionally, heaters and thermistors are attached to the stray light baffle (SLB), and centralized heater controllers (i.e., heater controller boards located in a large electronics box) are used. Due to the large number of heater harnesses, accommodating and routing them is extremely difficult. The total harness length/mass is very large. This innovation uses a thermally conductive pre-collimator to accommodate heaters and a distributed heater controller approach. It minimizes the harness length and mass, and reduces the problem of routing and accommodating them. Heaters and thermistors are attached to a short (4.67 cm) aluminum portion of the pre-collimator, which is thermally coupled to the SLB. Heaters, which have a very small heater power density, and thermistors are attached to the exterior of all the mirror module walls. The major portion (23.4 cm) of the pre-collimator for the middle and outer modules is made of thin, non-conductive material. It minimizes the view factors from the FMA and heated portion of the precollimator to space. It also minimizes heat conduction from one end of the FMA to the other. Small and multi-channel heater controllers, which have adjustable set points and internal redundancy, are used. They are mounted to the mechanical support structure members adjacent to each module. The IXO FMA, which is 3.3 m in diameter, is an example of a large telescope. If the heater controller boards are centralized, routing and accommodating heater harnesses is extremely difficult. This innovation has the following advantages. It minimizes the length/mass of the heater harness between the heater controllers and heater circuits. It reduces the problem of routing and accommodating the harness on the FMA. It reduces the risk of X-ray attenuation caused by the heater harness. Its adjustable set point capability eliminates the need for survival heater circuits. The operating mode heater circuits can also be used as survival heater circuits. In the non-operating mode, a lower set point is used.

Choi, Michael↗
NASA NTRS2014

Mars Sample Return Using Commercial Capabilities: Mission Architecture Overview

Mars Sample Return (MSR) is the highest priority science mission for the next decade as recommended by the recent Decadal Survey of Planetary Science. This paper presents an overview of a feasibility study for an MSR mission. The objective of the study was to determine whether emerging commercial capabilities can be used to reduce the number of mission systems and launches required to return the samples, with the goal of reducing mission cost. We report the feasibility of a complete and closed MSR mission design using the following scenario that covers three synodic launch opportunities, beginning with the 2022 opportunity: A Falcon Heavy injects a SpaceX Red Dragon capsule and trunk onto a Trans Mars Injection (TMI) trajectory. The capsule is modified to carry all the hardware needed to return samples collected on Mars including a Mars Ascent Vehicle (MAV), an Earth Return Vehicle (ERV), and hardware to transfer a sample collected in a previously landed rover mission to the ERV. The Red Dragon descends to land on the surface of Mars using Super Sonic Retro Propulsion (SSRP). After previously collected samples are transferred to the ERV, the single-stage MAV launches the ERV from the surface of Mars. The MAV uses a storable liquid bi-propellant propulsion system to deliver the ERV to a Mars phasing orbit. After a brief phasing period, the ERV, which also uses a storable bi-propellant system, performs a Trans Earth Injection (TEI) burn. Upon arrival at Earth, the ERV performs Earth and lunar swing-bys and is placed into a lunar trailing circular orbit - an Earth orbit, at lunar distance. A later mission, using Dragon and launched by a Falcon Heavy, performs a rendezvous with the ERV in the lunar trailing orbit, retrieves the sample container and breaks the chain of contact with Mars by transferring the sample into a sterile and secure container. With the sample contained, the retrieving spacecraft makes a controlled Earth re-entry preventing any unintended release of pristine martian materials into the Earth's biosphere. The analysis methods employed standard and specialized aerospace engineering tools. Mission system elements were analyzed with either direct techniques or by using parametric mass estimating relationships (MERs). The architecture was iterated until overall mission convergence was achieved on at least one path. Subsystems analyzed in this study include support structures, power system, nose fairing, thermal insulation, actuation devices, MAV exhaust venting, and GN&C. Best practice application of loads, mass growth contingencies, and resource margins were used. For Falcon Heavy capabilities and Dragon subsystems we utilized publically available data from SpaceX, published analyses from other sources, as well as our own engineering and aerodynamic estimates. Earth Launch mass is under 11 mt, which is within the estimated capability of a Falcon Heavy, with margin. Total entry masses between 7 and 10 mt were considered with closure occurring between 9 and 10 mt. Propellant mass fractions for each major phase of the EDL - Entry, Terminal Descent, and Hazard Avoidance - have been derived. An assessment of the effect of the entry conditions on the thermal protection system (TPS), currently in use for Dragon missions, shows no significant stressors. A useful payload mass of 2.0 mt is provided and includes mass growth allowances for the MAV, the ERV, and mission unique equipment. We also report options for the MAV and ERV, including propulsion systems, crewed versus robotic retrieval mission, as well as direct Earth entry. International planetary protection policies as well as verifiable means of compliance will have a large impact on any MSR mission design. We identify areas within our architecture where such impacts occur. We also describe preliminary compliance measures that will be the subject of future work. This work shows that emerging commercial capabilities as well as new methodologies can be used to efficiently support an important planetary science objective. The work also has applications for human exploration missions that use propulsive EDL techniques

Red Dragon↗
DOE OSTI2022

Functional CeO x nanoglues for robust atomically dispersed catalysts

Single-atom catalysts make exceptionally efficient use of expensive noble metals and can bring out unique properties. However, applications are usually compromised by limited catalyst stability, which is due to sintering. Although sintering can be suppressed by anchoring the metal atoms to oxide supports, strong metal–oxygen interactions often leave too few metal sites available for reactant binding and catalysis, and when exposed to reducing conditions at sufficiently high temperatures, even oxide-anchored single-atom catalysts eventually sinter. Here we show that the beneficial effects of anchoring can be enhanced by confining the atomically dispersed metal atoms on oxide nanoclusters or ‘nanoglues’, which themselves are dispersed and immobilized on a robust, high-surface-area support. We demonstrate the strategy by grafting isolated and defective CeO x nanoglue islands onto high-surface-area SiO 2 ; the nanoglue islands then each host on average one Pt atom. Further, we find that the Pt atoms remain dispersed under both oxidizing and reducing environments at high temperatures, and that the activated catalyst exhibits markedly increased activity for CO oxidation. We attribute the improved stability under reducing conditions to the support structure and the much stronger affinity of Pt atoms for CeO x than for SiO 2 , which ensures the Pt atoms can move but remain confined to their respective nanoglue islands. The strategy of using functional nanoglues to confine atomically dispersed metals and simultaneously enhance their reactivity is general, and we anticipate that it will take single-atom catalysts a step closer to practical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Numerical analysis of gas exhaust in Wendelstein 7-X using the direct simulation Monte Carlo method

The present work is focused on a 3D numerical assessment of the Wendelstein 7-X (W7-X) particle exhaust. For all the numerical simulations the direct simulation Monte Carlo solver of the DIVGAS workflow, has been employed. The complex 3D geometry of the sub-divertor region includes the pumping gap panel, supporting structures, cooling pipes as well as the cryo-vacuum pump. All the considered flow simulations correspond to the Standard magnetic configuration of W7-X. The main conclusions, which can be extracted from the present numerical analysis could be summarized as follows; The coupling between EMC3-EIRENE and DIVGAS, which considers the fact that the incoming neutral particle flux at the sub-divertor is based on realistic plasma background, has been demonstrated. Three plasma scenarios have been considered, for which is clearly seen that by increasing the heating power, the neutral pressure as well as the resulting pumping efficiency is increased. The obtained numerical results of the neutral pressure in the sub-divertor lie within a more general scan matrix, which assumes a wider range of incoming particle flux, namely 10 19 –10 24 (s −1 ). It has been observed that, the sub-divertor neutral pressure is proportional to the incoming neutral particle flux, with the effective pumping speed to be a constant of proportionality. The influence of switching off the cryo-vacuum pump on the sub-divertor pressure is rather modest and a weak increase of the neutral pressure in the sub-divertor is expected. Correlations of the sub-divertor pressure with the total incoming particle flux as well as the individual pumped flux at each of the AEH and AEP sections have been deduced. Moreover, it has been demonstrated that the influence of the incoming neutral particle flux on the albedo coefficient at the AEH and AEP pumping gaps is rather weak. All the above numerical findings will actively support the optimization of the W7-X particle exhaust, in view of future experimental campaigns.

DSMC method↗
DOE OSTI2020

Groundwater Monitoring Report, U.S. Department of Energy Y-12 National Security Complex, Oak Ridge, Tennessee

This report contains the groundwater and surface water monitoring data obtained during calendar year (CY) 2019 at the U.S. Department of Energy (DOE) Y-12 National Security Complex (Y-12) on the DOE Oak Ridge Reservation (ORR) in Oak Ridge, Tennessee. The monitoring data were obtained from wells, springs, and surface water sampling locations in three hydrogeologic regimes at Y-12. The Bear Creek Hydrogeologic Regime (Bear Creek Regime) encompasses a section of Bear Creek Valley (BCV) between the west end of Y-12 and the west end of the Bear Creek Watershed (directions are in reference to the Y-12 grid system, shown as Plant North. The Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime) encompasses the Y-12 industrial facilities and support structures in BCV. The Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime) encompasses a section of Chestnut Ridge directly south of Y-12. Background information in Section 2 of this report outlines the hydrogeologic framework for groundwater and surface water quality monitoring at Y-12 and includes an overview of the groundwater contamination in each hydrogeologic regime. Section 3 provides details regarding the groundwater and surface water sampling and analysis activities implemented under the Y-12 GWPP, including sampling locations and frequency, sample collection and handling, field measurements and laboratory analytes, quality assurance (QA)/quality control (QC) sampling, data management, and data quality assessment (DQA). However, the equivalent QA/QC or DQA information for the groundwater and surface water data associated with the monitoring programs implemented by UCOR are not included in this report and instead are deferred to referenced programmatic plans and reports issued by OREM and UCOR. Section 4 of this report presents a summary evaluation of the CY 2019 monitoring data with regard to the respective objectives of surveillance monitoring and exit pathway/perimeter monitoring. The evaluation is based primarily on the analytical results for the following principal groundwater contaminants at Y-12: nitrate, uranium, gross alpha activity, gross beta activity, and volatile organic compounds (VOCs). Section 5 summarizes the most significant findings with respect to the principal contaminants along with recommendations for any proposed changes to the ongoing groundwater and surface water quality monitoring performed under the Y-12 GWPP. Technical reports and plans cited in the narrative sections of the report are listed in Section 6. Narrative sections of this report reference several appendices. Figures (maps and diagrams) and data tables (excluding data summary tables incorporated in the narrative sections) are in Appendix A and Appendix B, respectively. Appendix C contains construction details for each well sampled during CY 2019 by either the Y-12 GWPP or UCOR, along with schematic diagrams for wells equipped with Westbay™ multiport sampling equipment or Barcad® pump systems. Appendix D supports the background summary discussion in Section 2 and provides more detailed information about the hydrogeologic framework for groundwater and surface water monitoring at Y-12, including the primary sources of groundwater contamination in each hydrogeologic regime. Results for all field measurements and laboratory analyses obtained by the Y-12 GWPP and UCOR are presented in Appendix E, which also includes the sample numbers for the QA/QC samples associated with groundwater and surface water monitoring performed by the Y-12 GWPP.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Process-dependent anisotropic thermal conductivity of laser powder bed fusion AlSi10Mg: impact of microstructure and aluminum-silicon interfaces

Purpose AlSi10Mg alloy is commonly used in laser powder bed fusion due to its printability, relatively high thermal conductivity, low density and good mechanical properties. However, the thermal conductivity of as-built materials as a function of processing (energy density, laser power, laser scanning speed, support structure) and build orientation, are not well explored in the literature. This study aims to elucidate the relationship between processing, microstructure, and thermal conductivity. Design/methodology/approach The thermal conductivity of laser powder bed fusion (L-PBF) AlSi10Mg samples are investigated by the flash diffusivity and frequency domain thermoreflectance (FDTR) techniques. Thermal conductivities are linked to the microstructure of L-PBF AlSi10Mg, which changes with processing conditions. The through-plane exceeded the in-plane thermal conductivity for all energy densities. A co-located thermal conductivity map by frequency domain thermoreflectance (FDTR) and crystallographic grain orientation map by electron backscattered diffraction (EBSD) was used to investigate the effect of microstructure on thermal conductivity. Findings The highest through-plane thermal conductivity (136 ± 2 W/m-K) was achieved at 59 J/mm 3 and exceeded the values reported previously. The in-plane thermal conductivity peaked at 117 ± 2 W/m-K at 50 J/mm 3 . The trend of thermal conductivity reducing with energy density at similar porosity was primarily due to the reduced grain size producing more Al-Si interfaces that pose thermal resistance. At these interfaces, thermal energy must convert from electrons in the aluminum to phonons in the silicon. The co-located thermal conductivity and crystallographic grain orientation maps confirmed that larger colonies of columnar grains have higher thermal conductivity compared to smaller columnar grains. Practical implications The thermal properties of AlSi10Mg are crucial to heat transfer applications including additively manufactured heatsinks, cold plates, vapor chambers, heat pipes, enclosures and heat exchangers. Additionally, thermal-based nondestructive testing methods require these properties for applications such as defect detection and simulation of L-PBF processes. Industrial standards for L-PBF processes and components can use the data for thermal applications. Originality/value To the best of the authors’ knowledge, this paper is the first to make coupled thermal conductivity maps that were matched to microstructure for L-PBF AlSi10Mg aluminum alloy. This was achieved by a unique in-house thermal conductivity mapping setup and relating the data to local SEM EBSD maps. This provides the first conclusive proof that larger grain sizes can achieve higher thermal conductivity for this processing method and material system. This study also shows that control of the solidification can result in higher thermal conductivity. It was also the first to find that the build substrate (with or without support) has a large effect on thermal conductivity.

Engineering↗
DOE OSTI2025

Ternary Potassium‐Bismuth‐Telluride Intermetallic Support Promotes Electrochemical Stability in Potassium Metal Anodes

We employed accumulative roll bonding to fabricate self‐standing metallurgical composite of in situ formed alkaline potassium‐bismuth‐telluride intermetallic K 2 (Bi 2/6 Te 3/6 Vac 1/6 ) embedded in potassium metal. This newly discovered thermodynamically stable potassiophilic crystal, termed “KBT”, is fcc antifluorite with K 2 Te archetype. Symmetric cells achieve 880 h of cycling at 0.5 mA cm −2 and 0.5 mAh cm −2 . Potassium metal battery (KMB) with Prussian blue (PB) cathode in carbonate electrolyte retains 80% capacity after 200 cycles at 1C. In ether‐based electrolyte with organic cathode, it achieves 80% retention after 900 cycles at 2C. Combined synchrotron X‐ray nano‐tomography, cryogenic‐focused ion beam microscopy (Cryo‐FIB) and sputter‐down X‐ray photoelectron spectroscopy (XPS) demonstrate uniform electrodeposits, versus baseline of potassium filaments intermixed with pores and coarse SEI. Binary K 3 Bi‐K and K 2 Te‐K intermetallic supports also provide improved electrochemical performance, albeit to lesser extent. Multiscale simulation provides insight into role of support structure in adatom energetics, film nucleation, early‐stage SEI morphology and interfacial stability.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Polymers in direct air capture: a mini review

The urgent need to mitigate climate change has intensified interest in direct air capture (DAC) technology, which targets extracting carbon dioxide (CO2) directly from the atmosphere. Among the various sorbents used in DAC, polymers have emerged as a promising solution, either as active sorbents or as structural supports for active DAC materials, due to their customizable properties, scalability and low cost. This mini-review investigates the latest trends in polymer-based materials for DAC and identifies critical research gaps, such as the need for thorough lifecycle assessments and in-depth studies on the degradation of polymeric materials. It also outlines future directions, emphasizing the importance of developing cost-effective, scalable and durable polymers that can perform efficiently across diverse climatic conditions, including the unique challenges presented by cold weather regions abundant in renewable energy. This mini-review aims to inform ongoing efforts in the design and utilization of polymeric sorbents, providing insights that could guide the development of economically viable and environmentally sustainable DAC technologies.

climate change↗
DOE OSTI2022

Super‐Hydrophilic Microporous Ni(OH) x /Ni 3 S 2 Heterostructure Electrocatalyst for Large‐Current‐Density Hydrogen Evolution

Abstract Exploiting active and stable non‐precious metal electrocatalysts for alkaline hydrogen evolution reaction (HER) at large current density plays a key role in realizing large‐scale industrial hydrogen generation. Herein, a self‐supported microporous Ni(OH) x /Ni 3 S 2 heterostructure electrocatalyst on nickel foam (Ni(OH) x /Ni 3 S 2 /NF) that possesses super‐hydrophilic property through an electrochemical process is rationally designed and fabricated. Benefiting from the super‐hydrophilic property, microporous feature, and self‐supported structure, the electrocatalyst exhibits an exceptional HER performance at large current density in 1.0 M KOH, only requiring low overpotential of 126, 193, and 238 mV to reach a current density of 100, 500, and 1000 mA cm −2 , respectively, and displaying a long‐term durability up to 1000 h, which is among the state‐of‐the‐art non‐precious metal electrocatalysts. Combining hard X‐rays absorption spectroscopy and first‐principles calculation, it also reveals that the strong electronic coupling at the interface of the heterostructure facilitates the dissociation of H 2 O molecular, accelerating the HER kinetics in alkaline electrolyte. This work sheds a light on developing advanced non‐precious metal electrocatalysts for industrial hydrogen production by means of constructing a super‐hydrophilic microporous heterostructure.

Chemistry↗