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At least 775 records · Page 43

Population and hierarchy of active species in gold iron oxide catalysts for carbon monoxide oxidation

The identity of active species in supported gold catalysts for low temperature carbon monoxide oxidation remains an unsettled debate. With large amounts of experimental evidence supporting theories of either gold nanoparticles or sub-nm gold species being active, it was recently proposed that a size-dependent activity hierarchy should exist. Here we study the diverging catalytic behaviors after heat treatment of Au/FeO x materials prepared via co-precipitation and deposition precipitation methods. After ruling out any support effects, the gold particle size distributions in different catalysts are quantitatively studied using aberration corrected scanning transmission electron microscopy (STEM). A counting protocol is developed to reveal the true particle size distribution from HAADF-STEM images, which reliably includes all the gold species present. As a result, correlation of the populations of the various gold species present with catalysis results demonstrate that a size-dependent activity hierarchy must exist in the Au/FeO x catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Towards complete assignment of the infrared spectrum of the protonated water cluster H + (H 2 O) 21

The spectroscopic features of protonated water species in dilute acid solutions have been long sought after for understanding the microscopic behavior of the proton in water with gas-phase water clusters H + (H 2 O) n extensively studied as bottom-up model systems. We present a new protocol for the calculation of the infrared (IR) spectra of complex systems, which combines the fragment-based Coupled Cluster method and anharmonic vibrational quasi-degenerate perturbation theory, and demonstrate its accuracy towards the complete and accurate assignment of the IR spectrum of the H + (H 2 O) 21 cluster. The site-specific IR spectral signatures reveal two distinct structures for the internal and surface four-coordinated water molecules, which are ice-like and liquid-like, respectively. The effect of inter-molecular interaction between water molecules is addressed, and the vibrational resonance is found between the O-H stretching fundamental and the bending overtone of the nearest neighboring water molecule. The revelation of the spectral signature of the excess proton offers deeper insight into the nature of charge accommodation in the extended hydrogen-bonding network underpinning this aqueous cluster.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantifying how the cis/trans ratio of N,N -dimethyl-3,5-dimethylpiperidinium hydroxide impacts the growth kinetics, composition and local structure of SSZ-39

This work integrates experiments and computational methods to quantify how the cis/trans ratio of the OSDA used in SSZ-39 synthesis impacts the crystallization kinetics, material properties, and final product composition. The crystallization kinetics increase by 30% when increasing the trans isomer content from 14% to 80%. Per prior work, in all cases based on the synthesis gel composition and product yield aluminum is the limiting reagent, and the absence of any amorphous material detected in the time resolved PXRD studies leads us to conclude that FAU dissolution is the rate limiting step in the formation of SSZ-39 in this synthesis protocol. The TGA and NMR results suggest that the trans isomer of OSDA is selectively incorporated into the product. The NMR binding studies, and corresponding DFT-based results show that the trans isomer binds to FAU more strongly than the cis isomer, providing one possible explanation for this enhancement in kinetics and preferential uptake of the trans isomer. The EDS analysis indicates that the Si/Al ratios are between 7.7 and 8.6 at low and high trans OSDA content, indicating zeolite composition is mildly sensitive to the trans isomer content. EDS results show this decrease in aluminum content leads to a corresponding decrease in sodium uptake. DFT-based calculations confirm OSDA–sodium interactions cannot explain any decrease in sodium uptake, reinforcing lower aluminum content as the cause of lower sodium uptake. Preliminary cobalt titration experiments show a surprisingly low cobalt uptake but also show a clear dependence of the cobalt uptake on the solution pH.

Cui, Zheng [Tulane University, New Orleans, LA (Un↗

Characterization of Agfa Structurix series D4 and D3sc x-ray films in the 0.7–4.6 keV energy range

X-ray films remain a key asset for high-resolution x-ray spectral imaging in high-energy-density experiments conducted at the National Ignition Facility (NIF). The soft x-ray Opacity Spectrometer (OpSpec) fielded at the NIF has an elliptically shaped crystal design that measures x rays in the 900–2100 eV range and currently uses an image plate as the detecting medium. However, Agfa D4 and D3sc x-ray films’ higher spatial resolution provides increased spectral resolution to the data over the IP-TR image plates, driving the desire for regular use of x-ray film as a detecting medium. The calibration of Agfa D4 x-ray film for use in the OpSpec is communicated here. These calibration efforts are vital to the accuracy of the NIF opacity measurements and are conducted in a previously un-studied x-ray energy range under a new film development protocol required by NIF. The absolute response of Agfa D4 x-ray film from 705 to 4620 eV has been measured using the Nevada National Security Site Manson x-ray source. A broader range of energies was selected to compare results with previously published data. The measurements were taken using selected anodes, filters, and applied voltages to produce well-defined energy lines.

Dutra, E. C. (ORCID:0000000167649195)↗

Efficiently Verifiable Quantum Advantage on Near-Term Analog Quantum Simulators

Existing schemes for demonstrating quantum computational advantage are subject to various practical restrictions, including the hardness of verification and challenges in experimental implementation. Meanwhile, analog quantum simulators have been realized in many experiments to study novel physics. In this work, we propose a quantum advantage protocol based on verification of an analog quantum simulation, in which the verifier need only run an O ( λ 2 ) -time classical computation, and the prover need only prepare O ( 1 ) samples of a history state and perform O ( λ 2 ) single-qubit measurements, for a security parameter λ . We also propose a near-term feasible strategy for honest provers and discuss potential experimental realizations. Published by the American Physical Society 2025

Liu, Zhenning (ORCID:000000020794419X)↗

SU-F-J-52: A Novel Approach to X-Ray Tube Quality Assurance for CBCT Systems in Order to Better Assess the Patient Imaging Dose in a Large, Multi-Unit Treatment Facility

Purpose: To standardize the tube calibration for Elekta XVI cone beam CT (CBCT) systems in order to provide a meaningful estimate of the daily imaging dose and reduce the variation between units in a large centre with multiple treatment units. Methods: Initial measurements of the output from the CBCT systems were made using a Farmer chamber and standard CTDI phantom. The correlation between the measured CTDI and the tube current was confirmed using an Unfors Xi detector which was then used to perform a tube current calibration on each unit. Results: Initial measurements showed measured tube current variations of up to 25% between units for scans with the same image settings. In order to reasonably estimate the imaging dose, a systematic approach to x-ray generator calibration was adopted to ensure that the imaging dose was consistent across all units at the centre and was adopted as part of the routine quality assurance program. Subsequent measurements show that the variation in measured dose across nine units is on the order of 5%. Conclusion: Increasingly, patients receiving radiation therapy have extended life expectancies and therefore the cumulative dose from daily imaging should not be ignored. In theory, an estimate of imaging dose can be made from the imaging parameters. However, measurements have shown that there are large differences in the x-ray generator calibration as installed at the clinic. Current protocols recommend routine checks of dose to ensure constancy. The present study suggests that in addition to constancy checks on a single machine, a tube current calibration should be performed on every unit to ensure agreement across multiple machines. This is crucial at a large centre with multiple units in order to provide physicians with a meaningful estimate of the daily imaging dose.

60 APPLIED LIFE SCIENCES↗

No-Impact Threshold Values for NRAP's Reduced Order Models

The purpose of this study was to develop methodologies for establishing baseline datasets and statistical protocols for determining statistically significant changes between background concentrations and predicted concentrations that would be used to represent a contamination plume in the Gen II models being developed by NRAP’s Groundwater Protection team. The initial effort examined selected portions of two aquifer systems; the urban shallow-unconfined aquifer system of the Edwards-Trinity Aquifer System (being used to develop the ROM for carbon-rock aquifers, and the a portion of the High Plains Aquifer (an unconsolidated and semi-consolidated sand and gravel aquifer, being used to development the ROM for sandstone aquifers). Threshold values were determined for Cd, Pb, As, pH, and TDS that could be used to identify contamination due to predicted impacts from carbon sequestration storage reservoirs, based on recommendations found in the EPA’s ''Unified Guidance for Statistical Analysis of Groundwater Monitoring Data at RCRA Facilities'' (US Environmental Protection Agency 2009). Results from this effort can be used to inform a ''no change'' scenario with respect to groundwater impacts, rather than the use of an MCL that could be significantly higher than existing concentrations in the aquifer.

54 ENVIRONMENTAL SCIENCES↗

Wave Energy Research, Testing and Demonstration Center

The purpose of this project was to build upon the research, development and testing experience of the Northwest National Marine Renewable Energy Center (NNMREC) to establish a non-grid connected open-ocean testing facility for wave energy converters (WECs) off the coast of Newport, Oregon. The test facility would serve as the first facility of its kind in the continental US with a fully energetic wave resource where WEC technologies could be proven for west coast US markets. The test facility would provide the opportunity for self-contained WEC testing or WEC testing connected via an umbilical cable to a mobile ocean test berth (MOTB). The MOTB would act as a “grid surrogate” measuring energy produced by the WEC and the environmental conditions under which the energy was produced. In order to realize this vision, the ocean site would need to be identified through outreach to community stakeholders, and then regulatory and permitting processes would be undertaken. Part of those processes would require environmental baseline studies and site analysis, including benthic, acoustic and wave resource characterization. The MOTB and its myriad systems would need to be designed and constructed.The first WEC test at the facility with the MOTB was completed within this project with the WET-NZ device in summer 2012. In summer 2013, the MOTB was deployed with load cells on its mooring lines to characterize forces on mooring systems in a variety of sea states. Throughout both testing seasons, studies were done to analyze environmental effects during testing operations. Test protocols and best management practices for open ocean operations were developed. As a result of this project, the non-grid connected fully energetic WEC test facility is operational, and the MOTB system developed provides a portable concept for WEC testing. The permitting process used provides a model for other wave energy projects, especially those in the Pacific Northwest that have similar environmental considerations. While the non-grid connected testing facility provides an option for WEC developers to prove their technology in a fully-energetic wave environment, the absence of grid connection is somewhat of a limitation. To prove that their technology is commercially viable, developers seek a multi-year grid connected testing option. To address this need, NNMREC is developing a companion grid connected test facility in Newport, Oregon, where small arrays of WECs can be tested as well.

16 TIDAL AND WAVE POWER↗

Tritium Fires: Simulation and Safety Assessment

This is the Sandia report from a joint NSRD project between Sandia National Labs and Savannah River National Labs. The project involved development of simulation tools and data intended to be useful for tritium operations safety assessment. Tritium is a synthetic isotope of hydrogen that has a limited lifetime, and it is found at many tritium facilities in the form of elemental gas (T 2 ). The most serious risk of reasonable probability in an accident scenario is when the tritium is released and reacts with oxygen to form a water molecule, which is subsequently absorbed into the human body. This tritium oxide is more readily absorbed by the body and therefore represents a limiting factor for safety analysis. The abnormal condition of a fire may result in conversion of the safer T 2 inventory to the more hazardous oxidized form. It is this risk that tends to govern the safety protocols. Tritium fire datasets do not exist, so prescriptive safety guidance is largely conservative and reliant on means other than testing to formulate guidelines. This can have a consequence in terms of expensive and/or unnecessary mitigation design, handling protocols, and operational activities. This issue can be addressed through added studies on the behavior of tritium under representative conditions. Due to the hazards associated with the tests, this is being approached mainly from a modeling and simulation standpoint and surrogate testing. This study largely establishes the capability to generate simulation predictions with sufficiently credible characteristics to be accepted for safety guidelines as a surrogate for actual data through a variety of testing and modeling activities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Evaluation of flame propagation of retrofit energy efficient wall assemblies

Leveraging safety science experience and industry relationships, UL Solutions and the International Association of Fire Fighters (IAFF) initiated a joint project in 2022 under an agreement with the US Department of Energy to evaluate the flame propagation of retrofit energy efficient wall assemblies. A draft of the protocol from the ASTM work was used to test and comparatively study various retrofit energy efficient designs to gain a better understanding of their fire behavior. The goals of this study were as follows: Develop an understanding of fire propagation across new, cost effective, and energy efficient exterior retrofit wall assemblies. Refine the flame propagation draft test method for exterior wall assemblies based on ASTM E2707. Identify conditions that create fire propagation hazards in exterior wall assemblies and educate the fire service on the findings.

42 ENGINEERING↗

Accelerated Selectrion of Optimal Perovskite Alloys for Solar PV using a Combined Quantum and Machine Learning Hierachiral Approach

The project aims to: (i) accelerate the discovery of “Missing HP alloys” by combining quantum mechanics and artificial intelligence machine learning approaches, and (ii) analyze the stabilities of candidate alloys, including those that do not pass selection filters (and are thus expected to degrade over time) to decipher the nature of the instabilities to guide the development of durable solar cell materials. Successful candidates will be subjected to validation experiments at NREL's state-of-the-art facilities. The discoveries this effort will provide will be directly testable and implementable and will greatly impact U.S. progress in HP PV as they will provide clear direction and motivation for experimental studies including specific material synthetic targets, device optimization, and device stability protocols. A key advantage of this effort is the feedback and guidance provided by the Industry Collaborative Work Group that we established to coordinate academic and national lab research with industry needs. The proposed work will provide a basis for and direct the development of robust and reliable HP PV. It will also provide a timely, valuable and extensive roadmap to the experimental HP PV community to enable it to focus its efforts on improving and fine-tuning promising HP compositions that this effort predicts will likely be the best performers rather than wandering in the vast chemical space for decades spending enormous resources mostly evaluating unpromising candidate materials.

14 SOLAR ENERGY↗

Toward Understanding Pore Formation And Mobility During Controlled Directional Solidification In A Microgravity Environment Investigation (PFMI)

The generation and inclusion of detrimental porosity, e.g., "pipes" and "rattails" can occur during controlled directional solidification processing. The origin of these defects is generally attributed to gas evolution and entrapment during solidification of the melt. On Earth, owing to buoyancy, an initiated bubble can rapidly rise through the liquid melt and "pop" at the surface; this is obviously not ensured in a low gravity or microgravity environment. Clearly, porosity generation and inclusion is detrimental to conducting any meaningful solidification-science studies in microgravity. Thus it is essential that model experiments be conducted in microgravity, to understand the details of the generation and mobility of porosity, so that methods can be found to eliminate it. In hindsight, this is particularly relevant given the results of the previous directional solidification experiments conducted in Space. The current International Space Station (ISS) Microgravity Science Glovebox (MSG) investigation addresses the central issue of porosity formation and mobility during controlled directional solidification processing in microgravity. The study will be done using a transparent metal-analogue material, succinonitrile (SCN) and succinonitrile-water "alloys", so that direct observation and recording of pore generation and mobility can be made during the experiments. Succinonitrile is particularly well suited for the proposed investigation because it is transparent, it solidifies in a manner analogous to most metals, it has a convenient melting point, its material properties are well characterized and, it has been successfully used in previous microgravity experiments. The PFMI experiment will be launched on the UF-2, STS-111 flight. Highlighting the porosity development problem in metal alloys during microgravity processing, the poster will describe: (i) the intent of the proposed experiments, (ii) the theoretical rationale behind using SCN as the study material for porosity generation and migration and, (iii) the experimental protocol for the investigation of the effects of the processing parameters. Photographs of the flight experimental hardware, and the novel sample ampoule, will be exhibited. The experimental apparatus will be described in detail and a summary of the scientific objectives will be presented.

Grugel, R. N.↗

Toward Understanding Pore Formation and Mobility during Controlled Directional Solidification in a Microgravity Environment Investigation (PFMI)

The generation and inclusion of detrimental porosity, e.g., pipes and rattails can occur during controlled directional solidification processing. The origin of these defects is generally attributed to gas evolution and entrapment during solidification of the melt. On Earth, owing to buoyancy, an initiated bubble can rapidly rise through the liquid melt and pop at the surface; this is obviously not ensured in a low gravity or microgravity environment. Clearly, porosity generation and inclusion is detrimental to conducting any meaningful solidification-science studies in microgravity. Thus it is essential that model experiments be conducted in microgravity, to understand the details of the generation and mobility of porosity, so that methods can be found to eliminate it. In hindsight, this is particularly relevant given the results of the previous directional solidification experiments conducted in Space. The current International Space Station (ISS) Microgravity Science Glovebox (MSG) investigation addresses the central issue of porosity formation and mobility during controlled directional solidification processing in microgravity. The study will be done using a transparent metal-analogue material, succinonitrile (SCN) and succinonitrile-water 'alloys', so that direct observation and recording of pore generation and mobility can be made during the experiments. Succinonitrile is particularly well suited for the proposed investigation because it is transparent, it solidifies in a manner analogous to most metals, it has a convenient melting point, its material properties are well characterized and, it has been successfully used in previous microgravity experiments. The PFMI experiment will be launched on the UF-2, STS-111 flight. Highlighting the porosity development problem in metal alloys during microgravity processing, the poster will describe: (i) the intent of the proposed experiments, (ii) the theoretical rationale behind using SCN as the study material for porosity generation and migration and, (iii) the experimental protocol for the investigation of the effects of the processing parameters. Photographs of the flight experimental hardware, and the novel sample ampoule, will be exhibited. The experimental apparatus will be described in detail and a summary of the scientific objectives will be presented.

Grugel, Richard N.↗

Design Study Conducted of a Stirred and Perfused Specimen Chamber for Culturing Suspended Cells on the International Space Station

A tightly knit numerical/experimental collaboration among the NASA Ames Research Center, NASA Glenn Research Center, and Payload Systems, Inc., was formed to analyze cell culturing systems for the International Space Station. The Cell Culture Unit is a facility scheduled for deployment on the space station by the Cell Culture Unit team at Ames. The facility houses multiple cell specimen chambers (CSCs), all of which have inlets and outlets to allow for replenishment of nutrients and for waste removal. For improved uniformity of nutrient and waste concentrations, each chamber has a pair of counterrotating stir bars as well. Although the CSC can be used to grow a wide variety of organic cells, the current study uses yeast as a model cell. Previous work identified groundbased protocols for perfusion and stirring to achieve yeast growth within the CSC that is comparable to that for yeast cultures grown in a shaken Ehrlenmeyer flask.

Nelson, Emily S.↗

Candidate Exercise Technologies and Prescriptions

This slide presentation reviews potential exercise technologies to counter the effects of space flight. It includes a overview of the exercise countermeasures project, a review of some of the candidate exercise technologies being considered and a few of the analog exercise hardware devices, and a review of new studies that are designed to optimize the current and future exercise protocols.

Loerch, Linda H.↗

In-Space Networking on NASA's SCAN Testbed

The NASA Space Communications and Navigation (SCaN) Testbed, an external payload onboard the International Space Station, is equipped with three software defined radios and a flight computer for supporting in-space communication research. New technologies being studied using the SCaN Testbed include advanced networking, coding, and modulation protocols designed to support the transition of NASAs mission systems from primarily point to point data links and preplanned routes towards adaptive, autonomous internetworked operations needed to meet future mission objectives. Networking protocols implemented on the SCaN Testbed include the Advanced Orbiting Systems (AOS) link-layer protocol, Consultative Committee for Space Data Systems (CCSDS) Encapsulation Packets, Internet Protocol (IP), Space Link Extension (SLE), CCSDS File Delivery Protocol (CFDP), and Delay-Tolerant Networking (DTN) protocols including the Bundle Protocol (BP) and Licklider Transmission Protocol (LTP). The SCaN Testbed end-to-end system provides three S-band data links and one Ka-band data link to exchange space and ground data through NASAs Tracking Data Relay Satellite System or a direct-to-ground link to ground stations. The multiple data links and nodes provide several upgradable elements on both the space and ground systems. This paper will provide a general description of the testbeds system design and capabilities, discuss in detail the design and lessons learned in the implementation of the network protocols, and describe future plans for continuing research to meet the communication needs for evolving global space systems.

space networks↗

Picosecond Clock Synchronization Across A 7-Node Metropolitan Scale Quantum Network

Quantum networking protocols relying on interference and precise time-of-flight measurements require high precision clock synchronization. This study describes the design, implementation, and characterization of two optical time transfer methods in a metropolitan-scale quantum networking research testbed. The first technique called active electronic stabilization (ELSTAB), was able to achieve sub-picosecond time deviation (TDEV) at integration times between 1 s and 105s over multiple different fiber lengths of both underground and aerial deployed fiber. The second technique, White Rabbit-Precision Time Protocol (WR-PTP), was able to achieve 10-picosecond TDEV’s over similar fiber lengths at comparable integration times. Environmental fluctuations affected the stability of clock synchronization over deployed fiber. These fluctuations resulted in path delay gradients, chromatic dispersion, polarization drift, and optical power variations. The results from this study will inform future work in the development of compensation methods essential for enabling experimental research in developing practical quantum networking protocols.

synchronization↗

Cost Recovery for Standby and Ancillary Services for Distributed Generation: Considerations for New Mexico

A New Mexico statute allows investor-owned utilities to recover costs of “standby and ancillary services” resulting from distributed generation (DG). In attempting to do so, it is important to recognize both the physical and economic impacts, positive and negative, that distributed generation creates. Distributed generation has different impacts on ancillary and standby services depending on the location, capacity, and production patterns of the systems. Low penetrations of small distributed generation systems will not create significant contingencies for utilities. System impact of fluctuations in DG production may be no larger than normal fluctuations caused by customer demand, such as an air conditioner cycling. Higher penetrations and large DG system may produce noticeable impacts; so magnitude is critical when determining potential additional recoverable utility costs. Understanding DG impact on ancillary services is a relatively new and emerging area of study and as such there are not well-established formulas or protocols. Discretion is required. A hosting capacity analysis can help determine how much DG can be implemented before the impacts become substantive. Standby rates are traditionally used for large industrial generators or combined heat and power systems and threshold system size levels are often used in determining applicability of standby rates. System size thresholds may also be appropriate for standby rates and DG. Relatively small, geographically diverse DG systems are unlikely to create a noticeable coincident outage, so developing a standby charge based on assumed coincidence may not be appropriate. Individual lines and feeders may have considerable excess capacity during coincident outages, or they may be fully utilized and facing upgrades in the near future, which could vary over time. Understanding specific events that create concern for utilities is critical to developing an appropriate rate mechanism (e.g., single residential or community system outage, cascading event, clouds, eclipse). Any modeling or studies of the grid should also recognize the unique situation created when DG is coupled with a smart inverter or storage. These devices change the value proposition and can help mitigate some of the voltage and ramping issues DG can pose for a utility. Utilities can recover their fixed costs in a variety of ways, and some are better suited for DG than others. Beyond charging for standby and ancillary services, other options include fixed customer charges, demand charges, minimum bills, time-of-use rates and updated net energy-metering policies. Studies and analyses of the specific impacts that DG has on the grid should inform utilities’ decision-making process because distributed generation creates both costs and benefits for the grid. Any charge specific to DG customers should be backed up with analysis. At the heart of this conversation is utilities attempting to recover fixed costs. Allowing utilities to indiscriminately recover all stranded fixed costs can negatively affect long-term market efficiency by blunting utility incentives to lower costs and acting as a barrier to entry and exit. The current status of New Mexico’s grid, impending infrastructure updates, and likely customer adoption patterns for DG (backed up by transparent analysis) should remain at the forefront when considering charges for standby and ancillary services. Recognizing that utility regulation is largely a reactive process, it is recommended that applications for DG related standby or ancillary services cost recovery mechanisms be thoroughly reviewed by an experienced economist. If the commission has no such skill set on staff, one might be hired.

24 POWER TRANSMISSION AND DISTRIBUTION↗