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At least 685 records · Page 38

Stratospheric Age Spectra and Mean Ages from In Situ Observations of Carbon Dioxide

In situ observations of CO2 obtained from 1992 through 2000 using the NASA ER-2 aircraft and high-altitude balloons show that seasonal and interannual variations in CO2 mixing ratios propagate from the troposphere into the lower stratosphere via the tropical tropopause, along with the long-term trend due to fossil fuel combustion. These signals spread laterally and vertically, providing detailed quantitative information about the transport history of sampled air. We have used these data to derive age spectra and mean ages that can be compared with results from models of the stratospheric circulation. For an air parcel at a point in the stratosphere, the age spectrum is defined as the probability distribution function for transit times from the tropical tropopause for each fluid element comprising the parcel. The mean age is the average transit time, corresponding to the first moment of the age spectrum. Age spectra have been derived for altitudes below approximately 20 km for the tropics and for northern midlatitudes where there is sufficient data and where the amplitudes of the seasonal and interannual oscillations in CO2 mixing ratios are large enough to be detected. Tropical age spectra are narrow, with seasonal variation indicating faster ascent during northern winter, consistent with a circulation driven by breaking of extratropical waves. The midlatitude CO2 data are consistent with bimodal age spectra, which could result from a subtropical "barrier" to horizontal exchange over a substantial altitude region. Seasonally resolved mean ages are available with nearly pole-to-pole coverage below 20 km and in the tropics and at middle and high northern latitudes up to the maximum altitude reached by the balloons (approximately 30 km). At ER-2 altitudes, steep meridional gradients in mean age are observed in the subtropics. Between 20 and 30 km, midlatitude air is approximately 2 years older than tropical air at the same altitude. The oldest air sampled was in the Arctic polar vortex with a mean age of .5 plus or minus 0.5 years. This value is much younger than mean ages inferred from simultaneous and previous observations of SF6 in the Arctic vortex, providing evidence for a mesospheric sink for SF6. The mean age in the midlatitude middle stratosphere (approximately 25-32 km) is nearly constant with respect to altitude at 5 plus or minus 0.5 years. Comparison with earlier balloon observations of CO2 dating back to the 1970s shows that the mean age of air in this region has been relatively invariant over the last 25 years.

Andrews, Arlyn E.↗

Staying Current: A Community Readiness Framework for Marine Energy Applied to River Current Energy in Alaska

Marine energy-including wave, tidal, and river current energy-can provide a local energy source for rural and remote communities. Marine energy has the potential to bolster self-sufficiency and create economic opportunities while preserving ecological integrity. Communities may be interested in deploying, testing, and advancing these early-stage technologies to meet their needs. However, limited capacity, workforce constraints, and other barriers can challenge development. To better understand a community's interest in and preparedness for marine energy, we developed a suite of 150 'metrics of readiness.' Organized across seven categories-technical, social, environmental, strategic, governance, economic, financial-and 29 subcategories, the metrics provide a holistic perspective beyond the technical aspects of an energy device. We conducted a desktop application of the metrics of readiness for Igiugig, Alaska. The metrics were applied retrospectively for two points in time: before (2009) and after (2018) in-stream testing of a river current energy device. By documenting changes among categories and subcategories of the metrics, our results show the evolving nature of community readiness for river current energy. They also illustrate how our interdisciplinary framework captures the investment in environmental effects research and commitment to strategic planning that occurred in Igiugig. In future applications, we envision the framework could be used to foster public engagement in marine energy, collaborate with communities in project development, shape capacity building activities, prioritize investments, and inform research needs. While our study focuses on enabling river current energy in Alaska, the metrics of readiness have the potential to inform implementation of other renewable technologies with communities in new geographies.

13 HYDRO ENERGY↗

Efficient mission control for the 48-satellite Globalstar Constellation

The Globalstar system is being developed by Globalstar, Limited Partnership and will utilize 48 satellites in low earth orbit (See Figure 1) to create a world-wide mobile communications system consistent with Vice President Gore's vision of a Global Information Infrastructure. As a large long term commercial system developed by a newly formed organization, Globalstar provides an excellent opportunity to explore innovative solutions for highly efficient satellite command and control. Design and operational concepts being developed are unencumbered by existing physical and organizational infrastructures. This program really is 'starting with a clean sheet of paper'. Globalstar operations challenges can appear enormous. Clearly, assigning even a single person around the clock to monitor and control each satellite is excessive for Globalstar (it would require a staff of 200! . Even with only a single contact per orbit per satellite, data acquisitions will start or stop every 45 seconds! Although essentially identical, over time the satellites will develop their own 'personalities'and will re quire different data calibrations and levels of support. This paper discusses the Globalstar system and challenges and presents engineering concepts, system design decisions, and operations concepts which address the combined needs and concerns of satellite, ground system, and operations teams. Lessons from past missions have been applied, organizational barriers broken, partnerships formed across the mission segments, and new operations concepts developed for satellite constellation management. Control center requirements were then developed from the operations concepts.

Smith, Dan↗

Quantifying Boreal Forest Structure and Composition Using UAV Structure from Motion

The vast extent and inaccessibility of boreal forest ecosystems are barriers to routine monitoring of forest structure and composition. In this research, we bridge the scale gap between intensive but sparse plot measurements and extensive remote sensing studies by collecting forest inventory variables at the plot scale using an unmanned aerial vehicle (UAV) and a structure from motion (SfM) approach. At 20 Forest Inventory and Analysis (FIA) subplots in interior Alaska, we acquired overlapping imagery and generated dense, 3D, RGB (red, green, blue) point clouds. We used these data to model forest type at the individual crown scale as well as subplot-scale tree density (TD), basal area (BA), and aboveground biomass (AGB). We achieved 85% cross-validation accuracy for five species at the crown level. Classification accuracy was maximized using three variables representing crown height, form, and color. Consistent with previous UAV-based studies, SfM point cloud data generated robust models of TD (r(sup 2) = 0.91), BA (r(sup 2) = 0.79), and AGB (r(sup 2) = 0.92), using a mix of plot- and crown-scale information. Precise estimation of TD required either segment counts or species information to differentiate black spruce from mixed white spruce plots. The accuracy of species-specific estimates of TD, BA, and AGB at the plot scale was somewhat variable, ranging from accurate estimates of black spruce TD (+/−1%) and aspen BA (−2%) to misallocation of aspen AGB (+118%) and white spruce AGB (−50%). These results convey the potential utility of SfM data for forest type discrimination in FIA plots and the remaining challenges to develop classification approaches for species-specific estimates at the plot scale that are more robust to segmentation error.

aboveground biomass↗

Parameter estimation with maximal updated densities

A recently developed measure-theoretic framework solves a stochastic inverse problem (SIP) for models where uncertainties in model output data are predominantly due to aleatoric (i.e., irreducible) uncertainties in model inputs (i.e., parameters). The subsequent inferential target is a distribution on parameters. Another type of inverse problem is to quantify uncertainties in estimates of “true” parameter values under the assumption that such uncertainties should be reduced as more data are incorporated into the problem, i.e., the uncertainty is considered epistemic. A major contribution of this work is the formulation and solution of such a parameter identification problem (PIP) within the measure-theoretic framework developed for the SIP. The approach is novel in that it utilizes a solution to a stochastic forward problem (SFP) to update an initial density only in the parameter directions informed by the model output data. In other words, this method performs “selective regularization” only in the parameter directions not informed by data. Further, the solution is defined by a maximal updated density (MUD) point where the updated density defines the measure-theoretic solution to the PIP. Another significant contribution of this work is the full theory of existence and uniqueness of MUD points for linear maps with Gaussian distributions. Data-constructed Quantity of Interest (QoI) maps are also presented and analyzed for solving the PIP within this measure-theoretic framework as a means of reducing uncertainties in the MUD estimate. We conclude with a demonstration of the general applicability of the method on two problems involving either spatial or temporal data for estimating uncertain model parameters. The first problem utilizes spatial data from a stationary partial differential equation to produce a MUD estimate of an uncertain boundary condition. The second problem utilizes temporal data obtained from the state-of-the-art ADvanced CIRCulation (ADCIRC) model to obtain a MUD estimate of uncertain wind drag coefficients for a simulated extreme weather event near the Shinnecock Inlet located in the Outer Barrier of Long Island, NY, USA.

42 ENGINEERING↗

Projecting the number of new HIV infections to formulate the "Getting to Zero" strategy in Illinois, USA

Objectives: Getting to Zero (GTZ) initiatives focus on expanding use of antiretroviral treatment (ART) and pre-exposure prophylaxis (PrEP) to eliminate new HIV infections. Computational models help inform policies for implementation of ART and PrEP continuums. Such models, however, vary in their design, and may yield inconsistent predictions. Using multiple approaches can help assess the consistency in results obtained from varied modeling frameworks, and can inform optimal implementation strategies. Methods: A study using three different modeling approaches is conducted. Two approaches use statistical time series analysis techniques that incorporate temporal HIV incidence data. A third approach uses stochastic stimulation, conducted using an agent-based network model (ABNM). All three approaches are used to project HIV incidence among a key population, young Black MSM (YBMSM), over the course of the GTZ implementation period (2016-2030). Results: All three approaches suggest that simultaneously increasing PrEP and ART uptake is likely to be more effective than increasing only one, but increasing ART and PrEP by 20% points may not eliminate new HIV infections among YBMSM. The results further suggest that a 20% increase in ART is likely to be more effective than a 20% increase in PrEP. All three methods consistently project that increasing ART and PrEP by 30% simultaneously can help reach GTZ goals. Conclusions: Increasing PrEP and ART uptake by about 30% might be necessary to accomplish GTZ goals. Such scale-up may require addressing psychosocial and structural barriers to engagement in HIV and PrEP care continuums. ABNMs and other flexible modeling approaches can be extended to examine specific interventions that address these barriers and may provide important data to guide the successful intervention implementation.

60 APPLIED LIFE SCIENCES↗

Norfolk State University Research Experience in Earth System Science

The truly interdisciplinary nature of Earth System Science lends itself to the creation of research teams comprised of people with different scientific and technical backgrounds. In the annals of Earth System Science (ESS) education, the lack of an academic major in the discipline might be seen as a barrier to the involvement of undergraduates in the overall ESS-enterprise. This issue is further compounded at minority-serving institutions by the rarity of departments dedicated to Atmospheric Science, Oceanography or even the geosciences. At Norfolk State University, a Historically Black College, a six week, NASA-supported, summer undergraduate research program (REESS - Research Experience in Earth System Science) is creating a model that involves students with majors in diverse scientific disciplines in authentic ESS research coupled with a structured education program. The project is part of a wider effort at the University to enhance undergraduate education by identifying specific areas of student weaknesses regarding the content and process of science. A pre- and post-assessment test, which is focused on some fundamental topics in global climate change, is given to all participants as part of the evaluation of the program. Student attitudes towards the subject and the program's approach are also surveyed at the end of the research experience. In 2002, 11 undergraduates participated in REESS and were educated in the informed use of some of the vast remote sensing resources available through NASA's Earth Science Enterprise (ESE). The program ran from June 3rd through July 12, 2002. This was the final year of the project.

Chaudhury, Raj↗

Immersive Scientific Visualization of Molten-Salt Reactor Waste Characteristics Using Virtual Reality

Immersive visualization is changing how we explore, communicate, and understand complex scientific systems. In nuclear energy, an area in which data are often multidimensional, time-dependent, and difficult to interpret, virtual reality (VR) represents a powerful and intuitive informational medium. This work introduces a VR-based platform that visualizes the post-shutdown behavior and waste management lifecycle of molten-salt reactors (MSRs), a next-generation reactor type with unique operational and safety characteristics. The platform, built in Unity, is streamed on the Meta Quest 3 headset. It transforms high-fidelity simulation data into an interactive, immersive experience. Users can explore time-dependent reactor characteristics such as nuclide decay, which is a key factor for evaluating reactor waste strategies. The datasets were generated using the MOOSE (Multiphysics Object-Oriented Simulation Environment) framework and then processed through ParaView scripting for smooth integration into Unity. From a visualization standpoint, the platform emphasizes spatial storytelling, temporal exploration, and user-centered interaction. Users can navigate 3D reactor geometries, slice through volumetric data, and manipulate time to observe how physical phenomena evolve. Real-scale rendering and embodied interaction make the experience feel tangible. The interface is designed to be accessible, even to those without nuclear or simulation expertise. This lowers the barrier for stakeholders, policymakers, and the general public, while still supporting expert analysis and collaborative decision-making. This work shows how immersive visualization can function as both a scientific tool and a communication interface. By integrating simulation, processing, and visualization into a cohesive workflow, we offer a scalable framework for immersive scientific storytelling. The modular design supports future extensions to other reactor types and lifecycle stages, from shutdown to long-term storage, making the platform adaptable for both research and outreach.

99 - GENERAL AND MISCELLANEOUS↗

Block encoding of the three-dimensional heterogeneous Poisson equation with application to fracture flow

Quantum linear system (QLS) algorithms offer the potential to solve large-scale linear systems exponentially faster than classical methods. However, applying QLS algorithms to real-world problems remains challenging due to issues such as state preparation, data loading, and efficient information extraction. In this work, we study the feasibility of applying QLS algorithms to solve discretized three-dimensional (3D) heterogeneous Poisson equations, with specific examples relating to groundwater flow through geologic fracture networks. We explicitly construct a block encoding for the 3D heterogeneous Poisson matrix by leveraging the sparse local structure of the discretized operator. While classical solvers benefit from preconditioning, we show that block encoding the system matrix and preconditioner separately does not improve the effective condition number that dominates the QLS run-time. This differs from classical approaches where the preconditioner and the system matrix can often be implemented independently. Nevertheless, due to the structure of the problem in three dimensions, the quantum algorithm achieves a run-time of 𝑂⁡(𝑁 2/3 polylog 𝑁 ⋅log (1/𝜖)), outperforming the best classical methods (with run times of 𝑂⁡(𝑁⁢log 𝑁 ⋅log (1/𝜖))) and offering exponential memory savings. These results highlight both the promise and limitations of QLS algorithms for practical scientific computing, and point to effective condition-number reduction as a key barrier in achieving quantum advantages.

58 GEOSCIENCES↗

FY24 Progress Report: Disposition of Cracks & Features Observed in the Inner Can Closure Weld Region (ICCWR) of the 3013 Package

The long-term integrity of the 3013 containers is of interest for the safe storage of Pu materials. Although the 3013 standard embodies multiple barrier concept, the integrity of the inner container is considered to be crucial since it protects the Safety Class outer container from its contents. The container is designed to withstand high pressures that could result from the complete radiolysis of the maximum water content permissible by the 3013 standard. Shelf-life studies and destructive examination have not found high gas pressures but have found that corrosive gases are generated. Pitting and stress corrosion cracking (SCC) are considered to be critical corrosion modes for the performance of the inner container and have been observed during destructive examinations. Considerable research has been conducted on the possibility of aqueous electrolytes condensing on the inner container that can promote SCC. These studies indicate the uncertainties surrounding the formation of corrosive environments and the corrosion behavior of container materials. In this initial report, a Bayesian network (BN) model is described that can consider the uncertainties and the causal connections between various factors influencing the corrosion modes of the inner container. The BN model is preliminary and provides an initial framework to identify the necessary information. The report also provides initial experimental results on the electrochemical behavior of stainless steels in anticipated condensed environments from gas phase migration of acidic gases. The experimental results are consistent with the corrosion model. Recommendation for further work on the BN model include assembling an expert group to provide input to the BN structure and quantification of the conditional probability matrix, experimental studies to characterize the microstructure of the container, electrochemical studies to identify critical potentials for localized corrosion and SCC, and crack growth rate studies

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Direct observation of C 3 S particle dissolution using fast nano X-ray computed tomography

Tricalcium silicate (C 3 S) occupies 50 % to 70 % of ordinary portland cement (OPC) by mass and it is an important component affecting the hydration of OPC [1], [2], [3], [4], [5], [6], [7]. Generally, the hydration of C 3 S is described by two processes: the dissolution of C 3 S particles and the precipitation of hydration products. While it is understood that the dissolution rates of C 3 S vary with time, more precise measurements are needed to understand this process. Many mechanisms have been proposed to explain the time-evolving dissolution rates of C 3 S [2]. The metastable barrier hypothesis suggests that a thin metastable layer of hydrates forms around the C 3 S particle surface and prohibits the access of grains to the aqueous solution [8], [9], [10], [11], [12]. The slow dissolution step hypothesis suggests that the increased ion concentration from the initial reaction delays the C 3 S dissolution [2], [13], [14], [15], [16], [17]. More recent publications suggest that C 3 S may react differently depending on the existence of crystallographic defects [18], [19], [20]. Etch pits are thought to open on the particle surface during the initial reaction and this contributes to the C 3 S dissolution [21], [22]. As hydrates precipitate and cover these highly reactive surfaces, hydration slows down and the induction period starts [18], [23], [24], [25], [26]. Many experiments have been conducted to test the aforementioned mechanisms. Some hydration studies utilize bulk measurements, such as isothermal calorimetry [27], [28], [29], pore solution analysis [30], quasi-elastic neutron scattering [31], and nuclear magnetic resonance spectroscopy [32], [33]. One limitation of these measurements is that they do not provide direct and detailed information on the individual C 3 S particles. Some other studies utilize imaging techniques, such as scanning electron microscopy (SEM) [34], [35], [36] and transmission electron microscopy (TEM) [37]. However, SEM/TEM cannot track the evolution of individual particles throughout hydration [34], [35], [38], [39], [40] and they do not give insights into the microstructure of materials before hydration [34], [35], [39]. This makes it challenging to draw strong conclusions from only SEM or TEM observations. Synchrotron X-ray tomography techniques have been used more broadly in recent years to study cement hydration. They are not only non-destructive but also able to image a sample in full 3D with resolutions that can reach from micron to nanoscale. Nano computed tomography (nCT) is one technique that has been applied to study cement hydration at the nanoscale [26], [41]. A typical nCT can reach a pixel size from 15 to 65 nm, providing enough detail for observing features <1 μm. However, nCT often takes >0.5 h to finish one scan. This makes the application of this technique on continuous scans for in-situ observations challenging. Fast X-ray computerized tomography (fCT) is another technique that has shown success in studying the time-evolving cement microstructures [20], [42], [43], [44], [45], [46], [47], [48], [49]. Due to the high flux of the X-ray beam from the synchrotron ring, fCT allows a scan to be captured within 1 min at a pixel size of 1 μm. This allows a paste sample to be continuously scanned during the hydration process. However, the micron-sized resolutions limit does not provide detailed insights for particles <5 μm [20], [49]. Fortunately, the combination of nCT and fCT has allowed the development of fast nano X-ray computed tomography (fnCT). fnCT can capture a 3D data set in <2 min at a pixel size of 50 nm. This makes this procedure an exciting method to evaluate hydrating pastes. fnCT collects multiple X-ray radiographs at various rotation angles and generates a 3D model of the scanned sample, which is also referred to as a 3D tomography [50], [51]. In one tomography, the X-ray absorptions of different components (e.g., C 3 S and hydrates) differ as functions of density and chemistry [52], [53]. These X-ray absorption contrasts can be used to extract detailed information about the 3D microstructure [26], [54], [55]. In this paper, fnCT is used to collect time-lapse tomographs of hydrating C 3 S paste from 18 min after mixing to 7 h of hydration. The bulk measurements of anhydrous C 3 S, as well as the microstructural changes of individual C 3 S particles, are directly observed, quantified, and discussed. The dissolution behavior of C 3 S particles at various size scales is systematically analyzed and compared. This work aims to find the relationship between the size of C 3 S particle sizes and their dissolution rates. This provides significant insights into the early-age hydration of C 3 S on length and time scales not previously possible. Because of the magnitude of the data and the substantial amount of observations, this work will solely focus on the change in the anhydrous particles. Changes in the hydration products will be reported in future work.

42 ENGINEERING↗

Revenue prediction for integrated renewable energy and energy storage system using machine learning techniques

Revenue estimation for integrated renewable energy and energy storage systems is important to support plant owners or operators’ decisions in battery sizing selection that leads to maximized financial performances. A common approach to optimizing revenues of a hybrid hydro and energy storage system is using mixed-integer linear programming (MILP). Although MILP models can provide accurate production cost estimations, they are typically very computationally expensive. To provide a fast yet accurate first-step information to hydropower plant owners or operators who consider integrating energy storage systems, we propose an innovative approach to predicting optimal revenues of an integrated energy generation and storage system. In this study, we examined the performance of two prediction techniques: Generalized Additive Models (GAMs) and machine learning (ML) models developed based on artificial neural networks (ANN). Predictive equations and models are generated based on optimized solutions from a market participation optimization model, the Conventional Hydropower Energy and Environmental Resource System (CHEERS) model. The two predicting techniques reduce the computational time to evaluate annual revenue for one set of battery configurations from 3 h to 1 to 4 min per run while also being implementable with significantly less data. The model validation prediction errors of developed GAMs and ML models are generally below 5%; for model testing predictions, the ML models consistently outperform the regression equations in terms of root mean square errors. This new approach allows plant owners, operators, or potential investors to quickly access multiple battery configurations under different energy generation and market scenarios. This new revenue prediction method will therefore help reduce the barriers, and thereby promoting the deployment of battery hybridization with existing renewable energy sources.

13 HYDRO ENERGY↗

Kinetic Monte Carlo simulations of aging in δ -Pu

We have developed a first-passage kinetic Monte Carlo approach for materials aging to investigate the sensitivity of void swelling to model parameters, including helium bubble density and size distribution. In addition to explicitly accounting for the spatial distribution of individual point defects, bubbles, and voids, our approach can simulate total doses equivalent to 100 years of natural aging on statistically representative volumes of materials. This technique enables us to study the effects on swelling and radiation damage evolution due to temperature and dose rate (as altered in artificially aged experiments), differences in effective interaction radii between vacancies and interstitials, and varying defect diffusion activation energies, while providing more detailed information than previous rate-equation based approaches. In conclusion, our results indicate that spatial effects that are not modeled in mean-field rate theories could play a significant role in void swelling initiation and growth for certain regimes of model parameters.

Actinides↗

Insights into the Structure–Activity Relationships in Metal–Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation

Solid supports play an indispensable role in heterogeneous catalysis, as they can directly affect the catalytic activity and selectivity of supported catalysts. However, the specific roles of such supports remain to be demystified owing to the difficulties in obtaining precise structural information on supported catalysts. To understand the effects of MOF topology, pore environment, and metal identity of node supports on the catalytic activity, a Ni catalyst was supported on eight Zr- or Hf-MOFs based on 8-connected nodes: namely M-NU-1200, M-NU-1000, M-NU-1008, and M-NU-1010 (M = Zr, Hf). Single-crystal X-ray diffraction (SCXRD), diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), and X-ray photoelectron spectroscopy (XPS) were employed to characterize the supported catalyst structures. To investigate the support effects on their activities, the supported Ni catalysts were evaluated by using ethylene hydrogenation as a model reaction. The results revealed that all Hf-based-MOF-supported Ni catalysts exhibited higher catalytic reactivity with TOF (turnover frequency) values at least double of those isostructural Zr counterparts. Additionally, MOFs with less congested metal anchoring sites, as a result of the topology and surrounding pore environment, yielded higher TOFs, suggesting the importance of supports in dictating both the catalyst accessibility and activity. Computational analysis complemented the experimental observations and provided insights into reaction barrier differences and their performance variation. Furthermore, this study demonstrates the essential role of the supports and provides a thought for selecting/designing suitable supports in heterogeneous catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Thin Triples Expand the Affordable High-Performance Window Options For Retrofit

Sales of high-performance triple-pane windows make up only a small fraction (~3%) of total window sales in the United States with relatively stagnant market growth over the past 20 years. High costs have been the most commonly cited barrier to adoption. The emergence of thin triples that can fit into the glazing pocket of existing double pane windows has the potential to revolutionize the high-performance window market in particular the retrofit market by enabling glass only upgrades for situations where the frames are still in good condition. The retrofit market has other unique challenges not found in new construction that can be solved or reduced by thin triple pane windows. Insert replacements are often pursued instead of full frame replacement, in retrofits, this method reduces the net free area of a window and can turn an egress window into one that no longer meets the net free area requirements for egress. Thin frames minimize such occurrences. However, these thin frames can often not accommodate the weight of a traditional triple pane, thin triples can bring high performance to this situation. Thicker frames can also increase retrofit labor costs because the interior drywall and/or trim molding needs to be cut back to accommodate a thicker frame while thin triples can fit into frames that match the thickness of the existing window. This paper presents information about field test experiences the highlight these retrofit advantages from experiencing the challenges associated with retrofitting a thick frame as well as the supply chain, purchasability, material and labor costs, and real-world energy and non-energy performance associated with the IGU only replacement method.

window retrofits, thin triple-pane windows, high p↗

cerf: A Python package to evaluate the feasibility and costs of power plant siting for alternative futures

Long-term electric power sector planning and capacity expansion is a key area of interest to stakeholders across a wide range of organizations because it helps in making informed decisions about investments in infrastructure within the context of potential future vulnerabilities under various natural and human stressors. Future power plant siting costs will depend on a number of factors including the characteristics of the electricity capacity expansion and electricity demand (e.g., fuel mix of future electric power capacity, and the magnitude and geographic distribution of electricity demand growth) as well as the geographic location of power plants. Electricity technology capacity expansion plans modeled to represent alternate future conditions meeting a set of scenario assumptions are traditionally compared against historical trends which may not be consistent with current and future conditions. We present the `cerf` Python package (a.k.a., the Capacity Expansion Regional Feasibility model) which helps evaluate the feasibility and structure of future, scenario-driven electricity capacity expansion plans by siting power plants in areas that have been deemed the least cost option while considering dynamic future conditions. We can use `cerf` to gain insight to research topics such as: 1) under what conditions future projected electricity expansion plans from models such as GCAM-USA are possible to achieve, 2) where and which on-the-ground barriers to siting (e.g., protected areas, cooling water availability) may influence our ability to achieve certain expansions, and 3) how electricity infrastructure build-outs and value may evolve into the future when considering locational marginal pricing (LMP) based on the supply and demand of electricity from a grid operations model.

20 FOSSIL-FUELED POWER PLANTS↗

NASA Virtual Conferences and Instruction Over the Internet

Distance learning is not new. Since the time that radio has embellished our culture distance learning has taken on may forms. With the onset of television, video tape and satellite link ups the world of multimedia has taken a presence in our remote learning environment. Now in the information age new models for bring the best education to people through out the world is in its early stages. Recent "Information Age" technological developments have made key advancements to distance learning through the greater bandwidths now available over the Internet and a broader communications infrastructure that extends to classrooms throughout the country and the world. Further, new software compression technology allows audio and video to be communicated over the Internet much more efficiently. Larger amounts of data can be transferred to remote sites at less cost. The purpose of this paper is to demonstrate the use of state-of-art technology in the educational community. The focus will be on virtual conferences, virtual instruction and remote education. The techniques herein have been developed by NASA and the University of North Dakota(UND) through the use of existing software and hardware purchased in the United States. NASA has awarded UND a grant for continued research in this area based on their pioneering effort to date. NASA has been conducting "Virtual Conferences" from Ames Research Center in order to make unique educational opportunities available to participants across the country and internationally. Through the use of this technical approach, hundreds of teachers have been able to attend events where physical or financial barriers traditionally prevented their attendance. This technique is currently being adopted by industry due to its scaleable merit.

Leon, Mark↗

Unifying principles for catalytic hydrotreating processes (Final Technical Report)

This project builds on the hypothesis that the hydrotreating processes for the removal of oxygen and sulfur are fundamentally similar at the atomic-scale and existing knowledge from the treatment of petroleum derived feedstock can be leveraged for the design of novel catalysts for the upgrade of bio-oil. We tested this hypothesis by comparing computed potential energy diagrams for hydrodesulfurization (HDS) of thiophene over MoS 2 with hydrodeoxygenation (HDO) of furan over MoO 3 and concluded that certain aspects, such as catalyst promotion with transition metals, are valid strategies for both reactions. On the other hand, we also noticed significant differences in the mechanism for hydrogen (H 2 ) activation, which requires sites with metallic character. While MoS 2 is known to have metallic edge states that can catalyze H 2 dissociation, this elementary step is prohibitively slow on defect-free oxides. Only in the presence of vacancies or by creating metal/oxide interfaces can efficient H 2 activation sites during HDO be formed. The need for bifunctional catalyst when it comes to efficient and selective HDO or dehydrogenation reactions was further corroborated in joint experimental and theoretical studies of the Guerbet reaction for the coupling of biomass derived oxygenates over PdCu alloys, nitrate reduction over In-promoted Pd nanoparticles, and ethylene dehydroaromatization over Ga-exchanged ZSM-5 zeolites. All of these catalytic systems have in common that catalytic sites with distinct functional requirements are needed to create a working catalyst. Detailed computational studies were carried out for HDO of m -cresol and phenol on Ru-modified TiO 2 surfaces, which allowed us to attribute catalytic activity to the metal/oxide interface. A surprising finding was that heterolytic cleavage of the H-H bond across the Ru/TiO 2 interface was critically important, despite lower barriers for homolytic H 2 activation on Ru metal. The explanation lies in the high barriers for hydrogen spillover from Ru to TiO 2 , which becomes unnecessary in the heterolytic activation pathway. Moreover, we also reported that proton transfer steps between metal and oxide sites are mediated by weakly adsorbed surface water. During attempts to develop and validate a kinetic Monte Carlo (kMC) model for HDO reactions at the Ru/TiO 2 interface, it became clear that lateral interactions are paramount to describe realistic surface chemistry and without these interactions, the reduction and hydroxylation behavior from our simulations was inconsistent with reported experiments. To assess the importance of lateral interactions in popular computational catalyst design strategies relying on the identification of reactivity descriptors, which can be used along with Brønsted–Evans–Polanyi (BEP) and scaling relations as input to a microkinetic model (MKM) to make predictions for activity or selectivity trends, we compared predicted trends with those obtained from descriptor-based kMC models. We critically evaluated the benefits of kMC over MKM in terms of trend predictions and computational cost when using only a small set of input parameters. After confirming that in the absence of lateral interactions the kMC and MKM approaches yield identical trends and mechanistic information, we observed substantial differences between the two kinetic models when lateral interactions were introduced. The mean-field implementation applies coverage corrections directly to the descriptors, causing an artificial overprediction of the activity of strongly binding metals. In contrast, the cluster expansion in kMC implementation can differentiate among the highly active metals but it is very sensitive to the set of included interaction parameters. Considering that computational screening relies on a minimal set of descriptors, for which MKM makes reasonable trend predictions at a ca. three orders of magnitude lower computational cost than kMC, we concluded that the MKM approach does provide an overall better entry point for computational catalyst design. Overall, this project has led to 11 peer-reviewed publications, and their scientific is impact is well illustrated by their combined 702 citations.

08 HYDROGEN↗