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At least 217 records · Page 12

Constructing Co Cluster Sites for Selective CO 2 Hydrogenation via Phase Segregation from Co-Doped TiO 2 Nanocrystals

This article presents a Co phase segregation strategy for creating stable Co cluster catalytic sites on TiO 2 , enabling selective CO 2 hydrogenation to CO. Through oxidative calcination, pre-synthesized Co-doped brookite TiO 2 nanorods transform into a mixed TiO 2 phase, leading to the phase segregation of Co species. The resulting Co clusters, stabilized by strong Co-TiO 2 interactions during reductive CO 2 hydrogenation, effectively suppress the formation of larger nanoparticles. The undercoordinated sites of these clusters promote a high CO production rate with near-unit selectivity, contrasting with Co nanoparticles, which favor CH 4 formation under identical conditions. In-situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) analysis indicates that the weakened CO adsorption on Co clusters is key to their enhanced CO selectivity, highlighting this method as a promising approach for efficient CO 2 utilization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Influence of Observed Diurnal Cycles of Aerosol Optical Depth on Aerosol Direct Radiative Effect

The diurnal variability of aerosol optical depth (AOD) can be significant, depending on location and dominant aerosol type. However, these diurnal cycles have rarely been taken into account in measurement-based estimates of aerosol direct radiative forcing (ADRF) or aerosol direct radiative effect (ADRE). The objective of our study was to estimate the influence of diurnal aerosol variability at the top of the atmosphere ADRE estimates. By including all the possible AERONET sites, we wanted to assess the influence on global ADRE estimates. While focusing also in more detail on some selected sites of strongest impact, our goal was to also see the possible impact regionally.We calculated ADRE with different assumptions about the daily AOD variability: taking the observed daily AOD cycle into account and assuming diurnally constant AOD. Moreover, we estimated the corresponding differences in ADREs, if the single AOD value for the daily mean was taken from the the Moderate Resolution Imaging Spectroradiometer (MODIS) Terra or Aqua overpass times, instead of accounting for the true observed daily variability. The mean impact of diurnal AOD variability on 24 h ADRE estimates, averaged over all AERONET sites, was rather small and it was relatively small even for the cases when AOD was chosen to correspond to the Terra or Aqua overpass time. This was true on average over all AERONET sites, while clearly there can be much stronger impact in individual sites. Examples of some selected sites demonstrated that the strongest observed AOD variability (the strongest morning afternoon contrast) does not typically result in a significant impact on 24 h ADRE. In those cases, the morning and afternoon AOD patterns are opposite and thus the impact on 24 h ADRE, when integrated over all solar zenith angles, is reduced. The most significant effect on daily ADRE was induced by AOD cycles with either maximum or minimum AOD close to local noon. In these cases, the impact on 24 h ADRE was typically around 0.1-0.2W/sq m (both positive and negative) in absolute values, 5-10% in relative ones.

optical depth↗

MagLifter Site Investigation and Implementation Strategies

MagLifter, as defined here, is an advanced, earth-bound catapult system to provide the initial lift for earth orbiting vehicles to reduce or eliminate the need for multistage propulsion, thus reducing the cost of orbital space flight. It is presumed that magnetic levitation will catapult the vehicle to a desired initial velocity sufficient for reaching orbit with the vehicles own engines. Of necessity, the system must be located on and around a mountain with sufficient relief to allow the catapult to accelerate the launch vehicle to a sufficient speed in the desired direction to allow it to reach orbit. Such a mountain site must meet criteria consistent with current and future space launch needs and conditions. It is the purpose of this report to set forth preliminary criteria for choosing a suitable maglifter site. The report is divided into four major sections: (1) Assumed Launch System and Flight Vehicle Characteristics; (2) Task 1.A - Initial Site Selection Criteria; (3) Conclusions; and (4) Appendix - Phases of the Site Selection Process.

Burke, Pamela↗

Archival of Seasat-A satellite scatterometer data merged with in situ data at selected, illuminated sites over the ocean

A large data base of Seasat-A Satellite Scatterometer (SASS) measurements merged with high-quality surface-truth wind, wave, and temperature data has been documented. The data base was developed for all times when selected in situ measurement sites were within the SASS footprint. Data were obtained from 42 sites located in the coastal waters of North America, Australia, Western Europe, and Japan and were assembled by correlating the SASS and surface-truth measurements in both time and distance. These data have been archived on a set of nine-track 6250 bpi ASCII coded magnetic tapes, which are available from the National Technical Information Service.

Schroeder, Lyle C.↗

Surface Dynamics of Selective Hydration of Rutile TiO 2 : A Kinetic Monte Carlo Approach

The utility of atomic layer deposition (ALD) continues to expand beyond conformal thin-film fabrication to include area- or site-selective ALD. We previously identified a strategy for site-selective ALD (SS-ALD) via the evaluation of thermodynamically preferred hydration of rutile TiO 2 surfaces, as deduced from electronic structure calculations. Here, we report a novel kinetic Monte Carlo (KMC) model that allows for the investigation of surface dynamics and kinetics that improves our understanding of and intuition for the selective hydration strategy. Here we demonstrate the validity of the strategy with respect to step-edge defects for the lowest energy (110) facet as well as report results for the other common facets which agree with experimental STM observations. The results here indicate that the selective hydration strategy is feasible both thermodynamically (evaluated in our previous publication) and kinetically (from the KMC model). Because diffusion has a slower rate than others, we find that any proximity effects between terrace and defect sites are unlikely to affect the selective hydration strategy for rutile TiO 2 . The KMC model further provides relevant timescales for achieving selectivity experimentally and establishes the kinetic viability of the selective hydration approach to SS-ALD.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Lunar Base Sitting

Speculation with regard to a permanent lunar base has been with us since Robert Goddard was working on the first liquid-fueled rockets in the 1920's. With the infusion of data from the Apollo Moon flights, a once speculative area of space exploration has become an exciting possibility. A Moon base is not only a very real possibility, but is probably a critical element in the continuation of our piloted space program. This article, originally drafted by World Space Foundation volunteers in conjuction with various academic and research groups, examines some of the strategies involved in selecting an appropriate site for such a lunar base. Site selection involves a number of complex variables, including raw materials for possible rocket propellant generation, hot an cold cycles, view of the sky (for astronomical considerations, among others), geological makeup of the region, and more. This article summarizes the key base siting considerations and suggests some alternatives. Availability of specific resources, including energy and certain minerals, is critical to success.

Staehle, Robert L.↗

Effects of surface diffusion in electrocatalytic CO 2 reduction on Cu revealed by kinetic Monte Carlo simulations

We report Kinetic Monte Carlo (KMC) methods are frequently used for mechanistic studies of thermally driven heterogeneous catalysis systems but are underused for electrocatalysis. Here, we develop a lattice KMC approach for electrocatalytic CO 2 reduction. The work is motivated by a prior experimental report that performed electroreduction of a mixed feed of 12 CO 2 and 13 CO on Cu; differences in the 13 C content of C2 products ethylene and ethanol (Δ 13 C) were interpreted as evidence of site selectivity. The lattice KMC model considers the effect of surface diffusion on this system. In the limit of infinitely fast diffusion (mean-field approximation), the key intermediates 12 CO* and 13 CO* would be well mixed on the surface and no evidence of site selectivity could have been observed. Using a simple two-site model and adapting a previously reported microkinetic model, we assess the effects of diffusion on the relative isotope fractions in the products using the estimated surface diffusion rate of CO* from literature reports. We find that the size of the active sites and the total surface adsorbate coverage can have a large influence on the values of Δ 13 C that can be observed. Δ 13 C is less sensitive to the CO* diffusion rate as long as it is within the estimated range. We further offer possible methods to estimate surface distribution of intermediates and to predict intrinsic selectivity of active sites based on experimental observations. This work illustrates the importance of considering surface diffusion in the study of electrochemical CO 2 reduction to multi-carbon products. Our approach is entirely based on a freely available open-source code, so will be readily adaptable to other electrocatalytic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Global coordinates with centimeter accuracy in the International Terrestrial Reference Frame using GPS

Using 21 days of GPS data from 21 globally distributed receivers operating during early 1991, a 7-parameter transformation between a GPS free-network solution and coordinates of 12 stations listed in the International Terrestrial Reference Frame (ITRF) is solved. Standard errors of GPS coordinates are derived by applying an orthogonal projection operator to the free-network covariance. The weighted rms difference between 33 transformed GPS and ITRF coordinates is 12 mm in the Northern Hemisphere. Best results are obtained by mapping ITRF coordinates to the epoch of this experiment assuming no vertical site motions. Fixing selected sites in the GPS solution to ITRF '90 does not improve the agreement. It is concluded that the use of fiducial constraints is unnecessary for global networks.

Blewitt, Geoffrey↗

Accelerating Nuclear-Integrated Data Centers in the USA: SWOT Analysis, Power-Thermal Management Strategies, and Industrial-Scale Demonstration and Potential Deployment

Driven by the growth in digital services, cloud computing, AI, and manufacturing, data centers face rising energy demands that challenge traditional power sources and cooling efficiency. This study explores using nuclear power to meet these demands, focusing on accelerated reactor technology deployment and highlighting needs such as N+1/N+2 power supplies and integrated power-thermal management. A SWOT analysis addresses grid connectivity, reactors, and site selection, particularly DOE sites. Reactor technology demonstration and deployment could be accelerated by leveraging test facilities such as MARVEL, MAGNET, TED, FAS, DOME, LOTUS, ATR, Energy System Proving Grounds, and upcoming Energy Launch Pads, along with modeling and simulation tools such as RELAP5, MOOSE, VERA, RAVEN, and FORCE. The potential power and thermal management options, including various cooling technologies, waste-heat utilization, and an industrial-scale demonstration plan, aim to accelerate the integration of nuclear power and data centers in the USA, while emphasizing community and stakeholder engagement and synergistic efforts.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

Reduction‐induced metal/oxide interfacial sites for selective CO 2 hydrogenation

Abstract The interfacial structures of bimetallic‐derived catalysts play an important role in promoting the activation of reactants such as CO 2 . In particular, both the physical property (e.g., local bonding environment) and the electronic property (e.g., oxidation state) can evolve from their native states under different environments, such as upon reduction and during the catalytic reaction. Hence, taking the CO 2 hydrogenation reaction over Rh‐based catalysts as a case study, the present work compares the interfacial structures in tuning the selectivity toward CH 4 or CO. The combination of ex situ and in situ characterization reveals two representative interfacial structures: the Rh/CeO x interface formed over Rh/CeO 2 is active and selective to produce CH 4 (~95%) by following a formate‐mediated pathway; in comparison, the InO x /Rh interface derived after reduction is active for CO 2 activation and enables a redox mechanism for the exclusive formation of CO (~100%). This work provides insights into the environment‐induced structural evolution at the metal−oxide interfaces, as well as the role of distinct interfacial active sites in tuning the selectivity of CO 2 hydrogenation.

10 SYNTHETIC FUELS↗

Global Light System for JEM-EUSO

The Global Light System (GLS) is a network of ground-based Xenon flash lamps and steered UV lasers to validate the key functions of the JEM-EUSO instrument. These functions include triggering efficiency, the accuracy of intrinsic luminosity measurements, and the reconstructed pointing direction accuracy. GLS units will generate benchmark optical signatures in the atmosphere with similar characteristics to the optical signals of cosmic ray EASs. The lasers will generate tracks and the flashers will generate point flashes. But unlike air showers, the number, energy, precise time, direction (lasers) can be specified. JEM-EUSO will reconstruct the pointing directions of the lasers and the energy of the lasers and flash lamps to monitor the detector's triggers, and accuracy of energy and direction reconstruction. 12 GLS units will be deployed at selected sites around the globe. The JEM-EUSO footprint will pass over a GLS unit on average once per (near) moonless night under clear conditions for appropriately selected sites. The 12 units will be supplemented by campaign style measurements with an airborne unit that will be flown over the open ocean at selected altitudes under JEM-EUSO. A GLS prototype in an airplane will support a high-altitude balloon flight in 2014 of a proto-type JEM-EUSO telescope. We will describe the concept and system design and report on the status of prototyping and the selection process for candidates sites.

Christl, Mark↗

Catalytic Approaches to C–O Activation in Biorenewable Feedstocks

The carbon present in biomass (the largest renewable source on the planet) continues to tempt us as a possible replacement for the carbon we currently obtain from fossil fuels. As we have recently reviewed, the challenges of extracting chemically useful feedstocks from biorenewables, and, especially, cellulosics, is largely under-developed relative to the maturity of the technologies for deriving industrially useful chemicals from petroleum. This ultimately boils down to problems in functionalization catalysis (for oil) versus defunctionalization (for cellulosics). The technology gap for achieving the selective defunctionalization of cellulosic feedstocks is much larger than it is for petroleum functionalization. This assessment suggests that the problem is not that bio-renewable feedstocks are fundamentally flawed from an economic and chemical sustainability perspective, but that we lack the technologies for deoxygenating cellulosic to more valuable chemicals. Bozell and Petersen have argued that integrated biorefineries will require a suite of products for viability (in analogy to an integrated petroleum refinery). These products will range from low-value high-volume energy related products (i.e. fuels) to high-value low-volume compounds focused on specialty markets and pharmaceuticals. The latter, although less impactful in terms of volume, is a critical economic component of the future integrated biorefinery. Our review was stimulated by their assessment of the state of the biorefinery and focused on the available chemistries for achieving low-volume high-value outcomes. To help fill this technology gap, we seek new catalytic technologies for synthesizing high-value chemicals from cellulosics and take the view that the inherent chirality of C 6 O 6 feedstocks will provide valuable materials for specialty and pharmaceutical applications, but only if one can achieve site-selective reactions that don’t denude the stereochemistry inherent to the sugars. Eliminative methods are less desirable as this deoxygenation scheme removes multiple stereocenters. The research plan outlined herein seeks methods for site-selective deoxygenation reactions that lead to high value specialty/pharma products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mars Data Visualization and E/PO with Marsoweb

Marsoweb is a collaborative web environment that has been developed for the Mars research community to better visualize and analyze Mars orbiter data. Its goal is to enable online data discovery by providing an intuitive, interactive interface to data from the Mars Global Surveyor and other orbiters. Recently Marsoweb has served a prominent role as a resource center for the site selection process for the Mars Explorer Rover 2003 missions. In addition to hosting a repository of landing site memoranda and workshop talks, it includes a Java-based interface to a variety of datamaps and images. This interface enables the display and numerical querying of data, and allows data profiles to be rendered from user-drawn cross-sections. High-resolution Mars Orbiter Camera (MOC) images (currently, over 100,000) can be graphically perused; browser-based image processing tools can be used on MOC images of potential landing sites. An automated VRML atlas allows users to construct 'flyovers' of their own regions-of-interest in 3D. These capabilities enable Marsoweb to be used for general global data studies, in addition to those specific to landing site selection. As of September 2002, over 70,000 distinct users from NASA, USGS, academia, and the general public have accessed Marsoweb.

Gulick, V. C.↗

Different evolutionary pathways of HIV-1 between fetus and mother perinatal transmission pairs indicate unique immune selection in fetuses

Study of evolution and selection pressure on HIV-1 in fetuses will lead to a better understanding of the role of immune responses in shaping virus evolution and vertical transmission. Detailed genetic analyses of HIV-1 env gene from 12 in utero transmission pairs show that most infections (67%) occur within 2 months of childbirth. In addition, the env sequences from long-term-infected fetuses are highly divergent and form separate phylogenetic lineages from their cognate maternal viruses. Host-selection sites unique to neonate viruses are identified in regions frequently targeted by neutralizing antibodies and T cell immune responses. Identification of unique selection sites in the env gene of fetal viruses indicates that the immune system in fetuses is capable of exerting selection pressure on viral evolution. Studying selection and evolution of HIV-1 or other viruses in fetuses can be an alternative approach to investigate adaptive immunity in fetuses.

60 APPLIED LIFE SCIENCES↗

Anatase TiO 2 Surface Hydration: Infrared Vibrational Assignment and Facet-Specific Stability

Anatase TiO 2 nanoparticles support a subtle diversity of surface aqua and hydroxy coordination environments that are characteristic of distinct facets and defect sites. The disparate properties and stability of each molecularly or dissociatively absorbed water environment may provide unique reactivity for facet- and site-selective atomic layer deposition (ALD). Here we probe the temperature-dependent and facet-specific stretching frequency and stability of surface hydroxyls on faceted anatase TiO 2 nanoparticles via in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). Well-defined truncated octahedra, disks, and rods fabricated through hydrothermal synthesis present dominant (101), (001), and (010) facets, respectively. The selective dehydration of discrete local coordination environments as a function of temperature provides a potential pathway to site-selective and facet-selective ALD on metal oxide nanomaterials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Asymmetric loading of TnsE regulates Tn7 targeting of DNA replication structures

Abstract Tn7 transposable elements are known for their sophisticated target-site selection mechanisms. For the prototypical Tn7 element, dedicated transposon-encoded proteins direct insertions to either a conserved site in the chromosome or replicating DNA structures in conjugal plasmids, ensuring the vertical and horizontal spread of the element. While the pathway targeting the attTn7 site in the bacterial chromosome has been extensively studied, the pathway targeting DNA replication structures remains poorly understood. We have used an integrative structural biology approach to elucidate how the Tn7-encoded protein TnsE recognizes replication sites. Using native mass spectrometry, we found that TnsE forms 1:1 and 2:1 (TnsE:DNA) complexes on 3′-recessed DNA, with gain-of-function TnsE variants favoring the formation of 2:1 complexes. Structural characterization confirms that two TnsE molecules bind to DNA with the C-terminal domain of the protein recognizing duplex DNA, leaving the N-terminal domain to impose DNA substrate specificity and recruit the core transposition machinery. Collectively, our work is consistent with a model where TnsE-mediated target-site selection relies on the formation of an asymmetric TnsE:DNA complex to recruit the Tn7 transposase to DNA replication structures.

Biochemistry & Molecular Biology↗

Modeling Cost of Offshore Carbon Storage in Saline Reservoirs

Poster presentation to the AAPG-SEG-SPE CCUS 2024 Conference. Offshore saline reservoirs provide a significant and accessible resource for geologic carbon storage (CS). The offshore environment requires distinct approaches to site selection, operations, monitoring, and risk that affect the technoeconomic assessment of offshore CS projects. The National Energy Technology Laboratory (NETL) has developed a CS cost model for offshore saline reservoirs known as CO2_S_COM_Offshore. Based on NETL’s widely used CO2_S_COM cost model for onshore saline CS, CO2_S_COM_Offshore enables technoeconomic analysis of CS in offshore areas. This model comprehensively incorporates multiple facets of offshore CS projects, from regional evaluation and site selection to permitting, transport, operations, monitoring, site closure, and decommissioning. Developed to model cost for offshore United States (US) Exclusive Economic Zones, aspects of this model can be adapted to international projects. Presented at the SPE/AAPG/SEG Carbon Capture Utilization and Storage Conference in Houston, TX, March 11-13, 2024.

Mark-Moser, Mackenzie K.↗

FLARE: The Far Side Lunar Research Expedition. A design of a far side lunar observatory

This document outlines the design completed by members of Lone Star Aerospace, Inc. (L.S.A.) of a lunar observatory on the far side of the Moon. Such a base would not only establish a long term human presence on the Moon, but would also allow more accurate astronomical data to be obtained. A lunar observatory is more desirable than an Earth based observatory for the following reasons: instrument weight is reduced due to the Moon's weaker gravity; near vacuum conditions exist on the Moon; the Moon has slow rotation to reveal the entire sky; and the lunar surface is stable for long baseline instruments. All the conditions listed above are favorable for astronomical data recording. The technical aspects investigated in the completion of this project included site selection, mission scenario, scientific instruments, communication and power systems, habitation and transportation, cargo spacecraft design, thermal systems, robotic systems, and trajectory analysis. The site selection group focused its efforts on finding a suitable location for the observatory. Hertzsprung, a large equatorial crater on the eastern limb, was chosen as the base site.

Bishop, David W.↗