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At least 1,783 records · Page 99

Mechanism by which Tungsten Oxide Promotes the Activity of Supported V 2 O 5 /TiO 2 Catalysts for NO X Abatement: Structural Effects Revealed by 51 V MAS NMR Spectroscopy

Abstract The selective catalytic reduction (SCR) of NO x with NH 3 to N 2 with supported V 2 O 5 (‐WO 3 )/TiO 2 catalysts is an industrial technology used to mitigate toxic emissions. Long‐standing uncertainties in the molecular structures of surface vanadia are clarified, whereby progressive addition of vanadia to TiO 2 forms oligomeric vanadia structures and reveals a proportional relationship of SCR reaction rate to [surface VO x concentration] 2 , implying a 2‐site mechanism. Unreactive surface tungsta (WO 3 ) also promote the formation of oligomeric vanadia (V 2 O 5 ) sites, showing that promoter incorporation enhances the SCR reaction by a structural effect generating adjacent surface sites and not from electronic effects as previously proposed. The findings outline a method to assess structural effects of promoter incorporation on catalysts and reveal both the dual‐site requirement for the SCR reaction and the important structural promotional effect that tungsten oxide offers for the SCR reaction by V 2 O 5 /TiO 2 catalysts.

Jaegers, Nicholas R.↗

Lightweight Hexagonal Boron Nitride Foam for CO 2 Absorption

Weak van der Waals forces between inert hexagonal boron nitride (h-BN) nanosheets make it easy for them to slide over each other, resulting in an unstable structure in macroscopic dimensions. Creating interconnections between these inert nanosheets can remarkably enhance their mechanical properties. However, controlled design of such interconnections remains a fundamental problem for many applications of h-BN foams. In this work, a scalable in situ freeze-drying synthesis of low-density, lightweight 3D macroscopic structures made of h-BN nanosheets chemically connected by poly(vinyl alcohol) (PVA) molecules via chemical cross-link is demonstrated. Unlike pristine h-BN foam which disintegrates upon handling after freeze-drying, h-BN/PVA foams exhibit stable mechanical integrity in addition to high porosity and large surface area. Fully atomistic simulations are used to understand the interactions between h-BN nanosheets and PVA molecules. In addition, the h-BN/PVA foam is investigated as a possible CO 2 absorption and as laser irradiation protection material.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Surface and internal ocean wave observations

The physical characteristics of the ocean surface waves are discussed, together with the prinicples behind altimetry measurements of the wave height and SAR measurements of surface wave direction and length. In addition, theoretical aspects of oceanic internal gravity waves are presented, and the measurements of oceanic internal wave fields, using the 'surface signatures' accompanying the underlying oscillations, are described. Results of the surface wave measurements obtained by the Seasat altimeter and SAR are presented along with inferred internal wave results obtained by SAR.

Rufenach, C. L.↗

Systems and Methods for Additive Manufacturing Processes that Strategically Buildup Objects

Systems and methods in accordance with embodiments of the invention implement additive manufacturing techniques that employ different sets of deposition characteristics and/or material formation characteristics during the additive manufacture of an object so as to strategically build up the object. In many embodiments, material used to build up an object is deposited at different deposition rates during the additive manufacture of the object, and the object is thereby strategically built up. In one embodiment, a method of additively manufacturing an object includes: depositing material onto a surface at a first deposition rate so as to define a first region of the object to be additively manufactured; and depositing material onto a surface at a second deposition rate so as to define a second region of the object to be additively manufactured; where the second deposition rate is different from the first deposition rate.

Hofmann, Douglas C.↗

Autonomous Tools for Attack Surface Reduction

The electric power grid is a complex critical infrastructure that forms the lifeline of modern society, and its secure and reliable operation is of paramount importance to national security and economic well being. However, recent findings documented in authoritative sources indicate the threat of cyber-based attacks growing in numbers and sophistication. However, securing the grid against stealthy cyber attacks is a challenging task due to legacy nature of the infrastructure coupled with dynamic nature of threat landscape and ever growing sophistication of the adversaries. Additionally, the grid’s attack surface continues to grow with the increased dependence on digital communications and control that now extends to each consumer through smart meters and distributed energy resources. Unfortunately, this expansive surface increases the grid’s vulnerability and further exposes critical control systems in both substations and control centers. To respond to this emerging need, we had successfully assembled an interdisciplinary team with academic- industry partnership to successfully conduct research, development, evaluation, demonstration, and commercialization of attack surface reduction tools, whose goal is to significantly reduce the cyber attack surface in the North American power grid. Our proposed project was a synergistic collaborative effort leveraging the synergistic expertise of the team members across power systems, cyber security and CPS security, testbeds, field deployments and demonstration, and successful commercialization. The team consisted of leading experts from two major universities – Iowa State University, Washington State University – complemented by reputed researchers from two DOE national laboratories – Pacific Northwest National Lab, and Argonne National Lab, one major utility vendor GE Global Research, and one utility partner – Cedar Falls Utilities (CFU). The team members have proven track record of successful academic-industry collaboration in interdisciplinary R&D projects, and bring onboard some of the best state-of-the-art testbed resources, industry-grade SCADA/EMS/DMS environment for experimentation and field demonstration.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Self-Aligned Fluorinated-Organic Ligand for Boosting the Performance of Perovskite Solar Cells

Surface passivation is evident to be one of the most efficient approaches to achieve high efficiency with superior stability of perovskite solar cells (PeSCs). However, most previous approaches to surface passivation involve adding an additional coating process either before or after perovskite film fabrication, thereby introducing an extra processing step and significantly increasing production costs. Here, a simple yet novel one-step interfacial passivation approach was implemented by utilizing the self-aligning properties of fluorinated organic ligands (F4TmI) within a perovskite precursor solution. The inherent propensity of the ligand to spontaneously anchor onto the surface of perovskite guides the crystallization process of perovskites, thus largely enhancing the device performance and humidity stability. The optimized F4TmI-based devices achieved an efficiency of 21.1%, surpassing that of the control (19.8%). Furthermore, the device stability significantly improved after the incorporation of F4TmI, maintaining 78.9 and 95.1% of its initial efficiency after aging at 60 °C and 60% relative humidity, respectively, for 330 h.

14 SOLAR ENERGY↗

High Selectivity Reactive Carbon Dioxide Capture over Zeolite Dual-Functional Materials

Reactive carbon dioxide capture (RCC) is a process where carbon dioxide (CO 2 ) is captured from a mixed gas stream (such as air) and converted to products without first performing a separation step to concentrate the CO 2 . Here, in this work, zeolite dual-functional materials (ZFMs) are introduced and evaluated for simulated RCC. The studied ZFMs feature high surface area, crystalline, microporous zeolite faujasite (FAU) as the support. Sodium oxide (“Na 2 O”) is impregnated as an effective capture agent capable of scavenging low concentration CO 2 (1,000 ppm). Exchanged and impregnated sodium on FAU chemisorbs CO 2 as carbonates and bicarbonates but does not promote the conversion of sorbed CO 2 to products when heated in hydrogen. The addition of Ru promotes the formation of formates, while the addition of Pt generates carbonyl surface species when heated in hydrogen. The active metal then promotes extremely high selectivity for CO 2 hydrogenation to either methane on Ru catalyst (~150 °C) or carbon monoxide on Pt catalyst (~200 °C) when heated in reducing atmospheres.

36 MATERIALS SCIENCE↗

Autonomous Tools for Attack Surface Reduction (Final Report)

The electric power grid is a complex critical infrastructure that forms the lifeline of modern society, and its secure and reliable operation is of paramount importance to national security and economic wellbeing. However, recent findings documented in authoritative sources indicate the threat of cyber-based attacks growing in numbers and sophistication. However, securing the grid against stealthy cyberattacks is a challenging task due to legacy nature of the infrastructure coupled with dynamic nature of threat landscape and ever-growing sophistication of the adversaries. Additionally, the grid’s attack surface continues to grow with the increased dependence on digital communications and control that now extends to each consumer through smart meters and distributed energy resources. Unfortunately, this expansive surface increases the grid’s vulnerability and further exposes critical control systems in both substations and control centers. To respond to this emerging need, we had successfully assembled an interdisciplinary team with academic- industry partnership to successfully conduct research, development, evaluation, demonstration, and commercialization of attack surface reduction tools, whose goal was to significantly reduce the cyber attack surface in the North American power grid. Our proposed project was a synergistic collaborative effort leveraging the synergistic expertise of the team members across power systems, cyber security and CPS security, testbeds, field deployments and demonstration, and successful commercialization. The following are the specific tasks that have been successfully completed two phases (2016-2020). Phase I: Task 1: Developed and implemented a robust Project Management and Data Management Plan, coupled with a well thought out Risk Mitigation Plan. Task 2.1: Developed a comprehensive framework that continually assesses and autonomously reduces the attack surface for the power grid control environment spanning across substations, control center and the SCADA network to significantly reduce the risks of cyber attacks. Task 2.2: Developed attack surface analysis techniques, metrics, and tools that assess the attack surface at multiple levels including the control center, substations, and the SCADA network. Task 2.3: Developed attack surface reduction techniques and tools that dynamically reduce attack surface and hence increase attacker’s cost without interfering in the critical functions of the system. Task 2.4: Prototyped, implemented, and quantitatively evaluated/validated the techniques and tools on a realistic industrial CPS security testbed environment by leveraging the unique resources of the team. Task 3: Developed Commercialization plan to transition the developed tools into power system industry stakeholders for a broader adoption by leveraging the expertise of our industrial members. Phase II: Task 4: Successfully completed field demonstration, verification, and evaluation of the effectiveness of the attack surface analysis and reduction techniques on a realistic utility testbed environment. This also involved the development of realistic scenarios, sound metrics, data sets, evaluation criteria, and documentation. Technology integration & Field demonstration: The project had significantly advanced the state-of-the-art research and practice in improving the cybersecurity of our nation’s power grid infrastructure against cyber threats. In particular, the proposed, designed, and deployed attack surface analysis and reduction algorithms and tools have contributed to significantly reducing the exposure and risk of the devices, substations, and the integrated SCADA/EMS/ DMS grid environment to cyber threat. Strong demonstration and evaluation techniques have verified the feasibility of the developed techniques on realistic cyber-physical testbeds and utility partner's real grid environment, and collaborative research and evaluation of attack surface reduction techniques (for wide-are monitoring and control) within a vendor (GE) EMS platform. The Attack Host Analyzer (AHA) tool that was developed through this project was made available through GitHub.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A machine learning approach to water quality forecasts and sensor network expansion: Case study in the Wabash River Basin, United States

Abstract Midwestern cities require forecasts of surface nitrate loads to bring additional treatment processes online or activate alternative water supplies. Concurrently, networks of nitrate monitoring stations are being deployed in river basins, co‐locating water quality observations with established stream gauges. However, tools to evaluate the future value of expanded networks to improve water quality forecasts remains challenging. Here, we construct a synthetic data set of stream discharge and nitrate for the Wabash River Basin—one of the United States’ most nutrient polluted basins—using the established Agro‐IBIS and THMB models. Synthetic data enables rapid, unbiased and low‐cost assessment of potential sensor placements to support management objectives, such as near‐term forecasting. Using the synthetic data, we established baseline 1‐day forecasts for surface water nitrate at 12 cities in the basin using support vector machine regression (SVMR; RMSE 0.48–3.3 ppm). Next, we used the SVMRs to evaluate the improvement in forecast performance associated with deployment of additional nitrate sensors. We identified the optimal sensor placement to improve forecasts at each city, and the relative value of sensors at each candidate location. Finally, we assessed the co‐benefit realized by other cities when a sensor is deployed to optimize a forecast at one city, finding significant positive externalities in all cases. Ultimately, our study explores the potential for machine learning to make near‐term predictions and critically evaluate the improvement realized by expanding a monitoring network. While we use nitrate pollution in the Wabash River Basin as a case study, this approach could be readily applied to any problem where the future value of sensors and network design are being evaluated.

54 ENVIRONMENTAL SCIENCES↗

AP-XPS Study of the Reaction of O 2 and CO 2 with Zn–Au(111) Surface Alloys: Activation of O–O/C–O Bonds and the Formation of ZnO

Synchrotron-based ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) was used to study the dissociation of O 2 and CO 2 on Zn-Au(111) alloys which contained 0.2-0.3 monolayers of zinc. Although Au(111) is inert, the alloys displayed a high activity for the cleavages of O-O and C-O bonds at room temperature with the formation of ZnO x species. Dissociative adsorption of O 2 at 300 K destroyed the alloys and the results of AP-XPS pointed to the co-existence of two types of oxygen species on the surface: ZnO x and chemisorbed O atoms (O chem ) on Au or the Au-ZnO interface. Annealing from room temperature to 600 K induced a O chem → ZnO x transformation that reflected the poor stability of O atoms on Au(111). The Zn-Au(111) systems exhibited a reactivity towards CO 2 that was much larger than that seen for Au(111), Cu(111) or surfaces of late transition metals like, Ni, Pd or Pt. At 300 K, CO 2 underwent partial dissociation depositing large amounts of O chem on the surface with minor formation of ZnO x . In addition, the deposited O chem reacted with CO 2 to form surface carbonate groups. Dosing of CO 2 at 500-600 K mainly led to the formation of ZnO x and the surface carbonate almost disappeared. In the presence of hydrogen, i.e. reaction feeds with a CO 2 to H 2 ratio of 1:3, the surface chemistry at 300 K was very similar to that seen for pure CO 2 with the formation of ZnO x and carbonate groups. In contrast, at 500-600 K, reaction with hydrogen induced the removal of ZnO x and CO 3 /HCOO species. Finally, our AP-XPS results are consistent with the idea that CO 2 hydrogenation on AuZn alloys involves a redox process where there is sequential oxidation by CO 2 and reduction by H 2 to yield methanol.

36 MATERIALS SCIENCE↗

Carbon Mineralizability Determines Interactive Effects on Mineralization of Pyrogenic Organic Matter and Soil Organic Carbon

Soil organic carbon (SOC) is a critical and active pool in the global C cycle, and the addition of pyrogenic organic matter (PyOM) has been shown to change SOC cycling, increasing or decreasing mineralization rates (often referred to as priming). We adjusted the amount of easily mineralizable C in the soil, through 1-day and 6-month pre-incubations, and in PyOM made from maple wood at 350°C, through extraction. We investigated the impact of these adjustments on C mineralization interactions, excluding pH and nutrient effects and minimizing physical effects. We found short-term increases (+20-30%) in SOC mineralization with PyOM additions in the soil pre-incubated for 6 months. Over the longer term, both the 6-month and 1-day pre-incubated soils experienced net ~10% decreases in SOC mineralization with PyOM additions. This was possibly due to stabilization of SOC on PyOM surfaces, suggested by nanoscale secondary ion mass spectrometry. Additionally, the duration of pre-incubation affected priming interactions, indicating that there may be no optimal pre-incubation time for SOC mineralization studies. We show conclusively that relative mineralizability of SOC in relation to PyOM-24 C is an important determinant of the effect of PyOM additions on SOC mineralization.

Environmental Molecular Sciences Laboratory↗

The variation of radar cross section with wind

X-band (8910 megahertz) and C-band (4455 megahertz) measurements indicate that two domains exist in the variation of radar cross section with wind at incident angles far from the normal. The first domain for flow windspeeds is characterized by a rapid variation of radar cross section with wind and the second domain at higher windspeeds by an asymptotic approach to an upper limit (saturation). The transaction between the two domains occurs at a windspeed of approximately 10 knots. Recent Joint Ocean Surface Study I observations tend to confirm this observation and offer additional proof of the validity of a composite surface model which relates the radar cross section of the sea to the wave-height spectrum. This confirmation was obtained by comparing the radar cross section measured by the four-frequency radar system with the radar cross section calculated from the ocean wave-height spectrum that had been determined by the optical analysis of photographs taken at the same time. A possible explanation for the wind variation of the radar cross section of the open ocean also was evolved, based on radar measurements in a wave tank under various wind conditions and subsequent comparison with optically determined spectra.

Guinard, N. W.↗

Three-dimensional algorithms for grid restructuring in Free-Lagrangian calculations

Grid restructuring algorithms which lower the price of three-dimensional Free-Lagrange calculations are presented. The algorithms are first given for the case of planar triangulated surfaces embedded in and spanning a three-dimensional region. The tetrahedra generated by this technique form a Delaunay mesh if the interplane spacing is comparable to the resolution within the planes. The algorithm can therefore be used for efficient determinations of Voronoi connections for initial grids. Modifications of the algorithm for the case of closely spaced surfaces are demonstrated in the context of restructuring algorithms which can accommodate colliding surfaces. Then, the restriction to planar surfaces is removed and regular surfaces are examined. The basic algorithm is the same, with an additional operation to project the vertices of one surface onto another. Finally, vertices on the surface are allowed to migrate anywhere in space.

Fritts, M.↗

Method for using magnetic particles in droplet microfluidics

Methods of utilizing magnetic particles or beads (MBs) in droplet-based (or digital) microfluidics are disclosed. The methods may be used in enrichment or separation processes. A first method employs the droplet meniscus to assist in the magnetic collection and positioning of MBs during droplet microfluidic operations. The sweeping movement of the meniscus lifts the MBs off the solid surface and frees them from various surface forces acting on the MBs. A second method uses chemical additives to reduce the adhesion of MBs to surfaces. Both methods allow the MBs on a solid surface to be effectively moved by magnetic force. Droplets may be driven by various methods or techniques including, for example, electrowetting, electrostatic, electromechanical, electrophoretic, dielectrophoretic, electroosmotic, thermocapillary, surface acoustic, and pressure.

Shah, Gaurav Jitendra↗

Some New Problems on Shells and Thin Structures

Cylindrical shells of arbitrary section, reinforced by longitudinal and transverse members (stringers and ribs) are considered by us, for a sufficiently close spacing of the ribs, as in our previously published papers (references 1 end 2), as thin-walled orthotropic spatial systems at the cross-sections of which only axial (normal and shearing) forces can arise. The longitudinal bending and twisting moments, due to their weak effect on the stress state of the shell, are taken equal to zero. Along the longitudinal sections of the shell there may arise transverse forces in addition to the normal ~d shearing forces. Under the so-called static assumptions there is taken for the computation model of the shell a thin-walled spatial system consisting along its length (along a generator) of an infinite number of elementary strips capable of bending. Each of these strips is likened to a curved rod operating in each of its sections not only in tension (compression)but also in transverse bending and shear. The interaction between two adjoining transverse strips in the shell expresses itself in the transmission from one strip to the other of only the normal and shearing stresses. The static structure of the computation model here described is shown in figure 1, where the connections through which the normal and shearing stresses transmitted from one transverse strip to smother are indicated schematically by the rods located in the middle surface of the shell. In addition to the static hypothesis we introduce also geometric hypotheses. According to the latter the elongational deformations of the shell along lines parallel to the generator of its middle surface and the shear deformations in the middle surface, as ma+gitudes having . little effect on the state of the fundamental internal forces of the shell, are taken equal to zero. The deformations of the shell in our computational model are such that in the first place the lines of this surface perpendicular to the generator are inextensible at each point end in the second place the angles between the lines of principal curvature (the coordinate lines) which are straight before the deformation remain straight after the deformation.

Vlasov, V. S.↗

Structural, thermal, and photoacoustic study of nanocrystalline Cr{sub 3}Ge produced by mechanical alloying

A thermodynamic analysis of the Cr-Ge system suggested that it was possible to produce a nanostructured Cr{sub 3}Ge phase by mechanical alloying. The same analysis showed that, due to low activation energies, Cr-poor crystalline and/or amorphous alloy could also be formed. In fact, when the experiment was performed, Cr{sub 11}Ge{sub 19} and amorphous phases were present for small milling times. For milling times larger than 15 h these additional phases decomposed and only the nanostructured Cr{sub 3}Ge phase remained up to the highest milling time used (32 h). From the differential scanning calorimetry measurements, the Avrami exponent n was obtained, indicating that the nucleation and growth of the nanostructured Cr{sub 3}Ge phase may be restricted to one or two dimensions, where the Cr and Ge atoms diffuse along the surface and grain boundaries. In addition, contributions from three-dimensional diffusion with a constant nucleation rate may be present. The thermal diffusivity of the nanostructured Cr{sub 3}Ge phase was determined by photoacoustic absorption spectroscopy measurements.

36 MATERIALS SCIENCE↗

Photoelectrochemically driven self-assembly method

Various technologies described herein pertain to assembling electronic devices into a microsystem. The electronic devices are disposed in a solution. Light can be applied to the electronic devices in the solution. The electronic devices can generate currents responsive to the light applied to the electronic devices in the solution, and the currents can cause electrochemical reactions that functionalize regions on surfaces of the electronic devices. Additionally or alternatively, the light applied to the electronic devices in the solution can cause the electronic devices to generate electric fields, which can orient the electronic devices and/or induce movement of the electronic devices with respect to a receiving substrate. Further, electrodes on a receiving substrate can be biased to attract and form connections with the electronic devices having the functionalized regions on the surfaces. The microsystem can include the receiving substrate and the electronic devices connected to the receiving substrate.

42 ENGINEERING↗