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At least 1,063 records · Page 59

Resilient information and inference networks under mixed-trust sensing

With ubiquitous digitization, sensing, and computational intelligence deployed in increasingly more and broader domains, including critical infrastructure, potentially misleading and destabilizing effects of multimodal anomalies and adversarial behavior are growing in importance. Here, we develop randomized and reinforcement learning-based strategies for strategically recruiting and utilizing deployed (and, thus, vulnerable and potentially faulty and/or compromised) nodes from information and inference networks, while defending against adversaries that attempt to misguide assessments of inferred variables. Recognizing that, besides communication and other costs, sampling from any observable node can either provide true data or dangerously expose our inference to misinformation (without being easily distinguishable what actually happens), the proposed strategies proceed by progressively recruiting nodes and cautiously scaling their information contribution based on assumed, or, in our reinforcement learning approach, intelligently weighed trustworthiness, with the learning approach also considering network-wide, threat-inclusive risk/value tradeoffs. While avoiding the hardware, communication, analytical and computational burden of explicit redundancy, the proposed defensive schemes enable on-the-fly assessments of underlying processes, and system-wide situational awareness with demonstrable resilience against adversarial activities.

97 - MATHEMATICS AND COMPUTING↗

Moving toward a framework for electricity and heat equivalence in energy systems analysis

Sustaining, maintaining, and upgrading the electricity grid, while meeting decarbonization goals is a challenge facing policymakers, regulators, grid operators, and investors. Simultaneously meeting demands for future capacity, retiring older inefficient technologies, and addressing externalities from energy production and use requires more diverse and inclusive technologies to avoid constraints and shortfalls in grid capability. Changing the energy production paradigm by encouraging alternative technologies was a key driver for FERC Order 2222. This stimulus for developing new small-scale generation will complement and supplement the existing fleet only if it attracts new investment. This investment must reflect technology that goes beyond the energy-only characteristics of traditional generation, creating systems where suites of energy-equivalent outputs are enhanced by environmental quality benefits and offsets. We use energy system designs to highlight the contribution that measuring and accounting for equivalency values provides net increases in capacity, electricity, and alternative fuels while simultaneously reducing carbon waste impacts.

42 ENGINEERING↗

Effects of aluminum content on thermoelectric performance of Al x CoCrFeNi high-entropy alloys

Introducing a non-regular distribution in the mass and bonding by including distinctly different elements can reduce the phonon transport even within structurally well-ordered materials. These distributions are a quality of all high-entropy alloys (HEAs), however the inclusion of aluminum in Al x CoCrFeNi is particularly impactful due to the large mismatch in atomic mass with other components. The resultant low phonon conductivity is a requirement for high thermoelectric performance, motivating the investigation of the effects of Al content on phonon transport as well as other thermoelectric properties. This work examines the phonon and electron transport and thermoelectric conversion properties with various Al contents (0 ≤ x Al ≤ 2) in this Cantor alloy using first-principles calculations, molecular dynamics, and semi-classical Boltzmann transport theory. The calculated phonon density of states and thermoelectric properties present reasonable agreements with experiments, including neutron scattering. A large reduction of phonon conductivity (k L ) is observed even with low x Al s, which we attribute to effective phonon scatterings by the large mass mismatch. However, its temperature dependence is not significant, demonstrating a minor contribution of interphonon scattering. In contrast, electrical conductivity (σ) and Seebeck coefficient (S) increase with temperature at higher x Al s with body-centered cubic structures. Therefore, the thermoelectric figure of merit (ZT) of Al x CoCrFeNi HEAs is enhanced by increasing the Al content mainly due to the increase of the thermoelectric power factor (σS 2 ) at high temperatures, while at low temperatures the phonon-scattering enhancement by mass mismatch is also important.

36 MATERIALS SCIENCE↗

Spark plasma sintered, MoNbTi-based multi-principal element alloys with Cr, V, and Zr

MoNbTi, MoNbTiZr, CrMoNbTiZr, and MoNbTiVZr multi-principal element alloys (MPEAs) were fabricated via spark plasma sintering (SPS) and investigated for use in high-strength applications. The fabrication method by SPS and powder metallurgy differs from those presented in the prior literature, where most MPEAs are fabricated using arc melting (AM) methods. Here cryogenic milling was used to maximize potential defect sinks (grain boundaries) for radiation resistance and to increase ultimate tensile strength through the Hall-Petch effect. SPS was chosen for consolidation in order to maintain a fine-grained structure during densification. Each alloy was characterized using x-ray diffraction and scanning electron microscopy for phase identification and compositional homogeneity. The base ternary alloy MoNbTi presented a predominantly single BCC system with minor cubic phases. The introduction of additional alloying elements—Zr, V, and Cr—heightened the phase complexity and increased the fractions of a secondary BCC phase and an HCP phase from Zr. The addition of Cr induced a larger fraction of the Laves phase to form. The addition of V caused the precipitation of small Mo inclusions. Thermodynamic analysis was performed to understand the separation of phases in each alloy. Discrepancies among the phase predictions generated by thermodynamic models, phases previously presented in the literature, and the characterization results suggest that MPEA fabrication methods, especially solid-state methods, require significant investigation to ensure that alloys can remain stable throughout their anticipated service lifetimes.

36 MATERIALS SCIENCE↗

Unveiling the nature of Ga-based chalcogenides for electrical switching selectors

Three-dimensional phase-change memory with stackable crossbar architecture is a promising technology to meet the urgent demands for high-density storage and rapid information processing in the era of explosive data growth. The performance depends strongly on the properties of ovonic threshold switching (OTS) selectors, which control the on/off states of memory units. Amorphous GaS serves as an outstanding OTS material, distinguished by its sizable mobility gap and high crystallization temperature, while the underlying mechanism continues to be inadequately comprehended. Here, in this work, we systematically studied the structural and electronic properties of amorphous Ga-X (X = S/Se/Te) using first-principles calculations. The results show that Ga atoms adopt tetrahedral motifs, while S/Se/Te atoms predominantly exhibit the structure of a distorted triangular pyramid. This structural arrangement is ascribed to the substantial dative bonds formed by the lone-pair electrons of the anions and the vacant sp3 orbitals around Ga atoms. Large mobility gaps (e.g., GaS: 2.43 eV, GaSe: 1.76 eV, GaTe: 1.26 eV) and distinct mid-gap states (e.g., ∼0.66 eV above valence band tail) ensure that these three chalcogenide glasses can be switched on under an external electric field while effectively suppressing leakage current without a bias, and the defect electronic states originate from short, robust Ga-Ga bonds due to the formation of distorted chain-like local structures. Our research elucidates the mechanisms of amorphous Ga-X as OTS materials, enriching the spectrum of electrical switching selectors by incorporating III-VI chalcogenides. This inclusion offers novel opportunities for the refinement and optimization of high-density integrated memory systems.

36 MATERIALS SCIENCE↗

Response to “how robust are reductions in modeled estimates from GTAP-BIO of the indirect land use change induced by conventional biofuels?”

Malins et al. (2020) recently published "How robust are reductions in modeled estimates from GTAP-BIO of the indirect land use change induced by conventional biofuels?", provided their narrative from the model improvements in GTAP-BIO over time, made several critical points regarding this model, and argued that the implemented improvements in this model tended to decrease Induce Land Use Changes (ILUC) emissions. Furthermore, they also provided several critical points regarding the Carbon Calculator for Land Use Change from Biofuels Production (CCLUB) emissions model. In this response to Malins et al. we address these critiques point-by-point by providing our detailed responses to key issues: 1) the GTAP-BIO model and its improvements over time; 2) the inclusion of cropland pasture in the model; 3) the observed land use changes in the US that have been the bases for improvements in GTAP-BIO model, 4) the time trends in corn price and yield to challenge the concept of the yield to price response; 5) some sources of land intensification in crop production; 6) the FAO notifications with respect to the comparison between harvested area and arable land; and 7) the GTAP-BIO results for multiple cropping. We also provided responses to Malins et al. critical points regarding the CCLUB emissions model. We hope that this response letter will open more constructive discussion among the LUC modeling community to remain focused on the big picture regarding agriculture's role as a very effective GHG mitigation tool that can shape the new policies to govern the production and consumption of biofuels.

09 BIOMASS FUELS↗

Comparative life cycle assessment of a modular cross-laminated timber residential building designed for disassembly and reuse versus traditional wood frame construction

There is a need for affordable housing across the U.S., with high-performance modular and prefabricated buildings providing a logical avenue for meeting some of this demand. However, there is a need to balance high performance construction – including low emissions – with affordability. To provide a proof-of-concept in meeting these goals, the Circular Home is a cross-laminated timber (CLT)-based deconstructible and reconfigurable single-family residence that meets high performance targets in moisture, energy, design, economics, and life cycle assessment (LCA). This study focuses on the LCA, presenting a cradle-to-cradle whole-building life cycle assessment (WBLCA) for the Circular Home and a functionally equivalent Baseline Home constructed with traditional materials and methods. The functional unit is 1 m 2 of gross floor area across 60 years. Revit building information models (BIM) provided material quantities and Tally LCA was utilized for impact data (inclusive of biogenic carbon sequestration), supplemented with manufacturer environmental product declarations (EPDs). The Circular Home outperforms the baseline residence in most measured impact categories, including global warming potential (GWP), producing −2.73 kgCO 2 eq/m 2 in embodied emissions, whereas the modeled baseline has an embodied GWP of 428 kgCO 2 eq/m 2 . The careful material selection and advanced building design optimizes performance, with the Circular Home containing only −0.006 times the embodied emissions and −0.02 times the operational emissions of its traditional counterpart. Finally, the unique contribution of this work is in the environmental impact comparison of a high-performance modular CLT structure that can be affordably scaled and mass produced in a U.S. market, compared to typical single family home construction.

Circularity↗

Super-time-stepping schemes for parabolic equations with boundary conditions

In this work, we present a super-time-stepping scheme for numerically solving parabolic partial differential equations with Dirichlet boundary conditions (BC). Using the general Forward Euler scheme, one can show that by taking varying step sizes there is the potential of propagating the solution forward in time by a greater amount than with uniform step sizes, while maintaining the same order of accuracy. As shown in previous works, if one further requires that the scheme have the Convex Monotone Property (CMP), then there exists a scheme which results in linear, monotone stability of the solution. This monotone stability is highly desirable in many physical situations, such as thermal diffusion, where the physical system will not oscillate, but will behave monotonically. However, the schemes devised in previous works do not include situations that have a boundary condition, and the inclusion of boundary conditions will henceforth be our focus. It is shown that a particular Runge-Kutta-Gegenbauer class of schemes [5] will maintain the CMP even in the presence of Dirichlet BC.

97 MATHEMATICS AND COMPUTING↗

A Cartesian-diffusion Langevin method for hybrid kinetic-fluid Coulomb scattering in particle-in-cell plasma simulations

A novel, drag-diffusion Langevin method of hybrid, kinetic-fluid Coulomb scattering in plasmas is presented. Unlike previous methods, the frictional drag is always applied in the simulation frame of reference. The velocity-space diffusion is performed in the stationary-fluid frame of reference when anisotropic, and in the laboratory frame when isotropic. While the general method is mass-ratio independent, we focus on interactions of kinetic-ions and fluid-electrons to show first-order modifications to the electron velocity distribution function that are an important correction for the accurate calculation of electric resistivity. Inclusion of sub-cycling and a limit to the maximum collision frequency is shown to allow for arbitrarily large timesteps without numerical failure. Here the Langevin method is compared with a grid-based binary method and found to require a much less restrictive timestep in cases of ion–electron slowing and temperature equilibration; this finding differs from previous work and is dependent on the mass ratio.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Stability-based optimization of ACRT for the growth of CZT by the traveling heater method

Numerical modeling is employed to study the effects of several accelerated crucible rotation technique (ACRT) rotation schedules on the growth of cadmium zinc telluride (CZT) by the traveling heater method (THM). In conjunction with these analyses, a measure is developed to estimate the amplitude of disturbances associated with cellular interface growth morphologies that develop over time and across the melt-solid interface. Furthermore, this disturbance amplitude measure is used to assess the ability of ACRT to stabilize the growth interface and thereby minimize inclusion formation processes. Notably, our analyses reveal that interfacial instability is not well correlated with melt undercooling, explaining why classical ACRT approaches to reduce undercooling by mixing may not stabilize growth. Computations show that interface stability is best achieved via rotation schedules that accentuate outward Ekman flows during spin-up and, during spin-down, eliminate Taylor-Görtler flows and minimize inward Ekman flows.

36 MATERIALS SCIENCE↗

An atomistic theory of nucleation: Self-organization via non-equilibrium work and fluctuations

For this work, insights from non-equilibrium statistical mechanics, highlighting the role of work and fluctuations at the microscale, are applied toward the development of a fundamental, rigorous and purely atomistic theory of nucleation. Nanoscale fluctuations in order, density and heat influence the local nucleation rate by orders of magnitude, necessitating their inclusion through a modern approach. Coarse-graining over the underlying Hamiltonian dynamics allows derivation of a microscale expression for the nucleation rate in terms of a classical path integral over far from equilibrium trajectories and their associated work. Second law violating states at the microscale, as found from the dynamics of small critical nucleation clusters, contribute exponentially to the observable macroscale nucleation rate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Analysis of the High-Pressure High-Temperature (HPHT) growth of single crystal diamond

A multi-scale, computational model is developed to describe the growth characteristics of single-crystal diamond in the High-Pressure, High-Temperature (HPHT) process. This model is the first to connect phase-change kinetics governing crystal growth to the continuum transport of carbon through the growth cell. Results show the importance of convective transport driven by buoyant flow in the metallic solvent, which increases the growth rate by nearly an order of magnitude over that obtained under diffusion alone. Parametric studies show how crystal growth may be kinetically-limited or transport-limited, depending on the value of the macroscopic kinetic coefficient. Estimating this kinetic coefficient from growth experiments yields a phase-change Damköhler number of unity, indicating a mixed regime where phase-change kinetics and transport are comparable and strongly coupled in this system. Mechanisms responsible for slowing growth as the crystal size increases are explained. Finally, supersaturation inhomogeneities along the facets of larger crystals are predicted, which may be relevant to solvent inclusion formation during growth.

36 MATERIALS SCIENCE↗

A rigorous non-empirical theoretical analysis of the 2p XPS of NiO: Is it necessary to invoke nonlocal screening?

The role of ligand field effects and many-body effects arising from angular momentum coupling and shake effects for the XPS of NiO, as a representative transition metal oxide, have been investigated using rigorous, non-empirical wave functions for single site cluster models. Here it is shown that important features of the XPS arise from proper treatment of angular momentum coupling and it is unnecessary to invoke non-local screening to explain the experimental XPS. Contrary to the usual understanding, it is shown that inclusion of shake excitations in the many body wavefunctions is responsible for the high BE satellites that are observed. The contribution of covalent mixing of metal and ligand orbitals in the closed shells to screening of core-holes is demonstrated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evidence-based indicator approach to guide preliminary environmental impact assessments of hydropower development

Global expansion of hydropower resources has increased in recent years to meet growing energy demands and fill worldwide gaps in electricity supply. However, hydropower induces significant environmental impacts on river ecosystems - impacts that are addressed through environmental impact assessment (EIA) processes. The need for effective EIA processes is increasing as environmental regulations are either stressed in developing countries undertaking rapid expansion of hydropower capacity or time- and resource-intensive in developed countries. Part of the challenge in implementing EIAs lies in reaching a consensus among stakeholders regarding the most important environmental factors as the focus of impact studies. To help address this gap, we developed a weight-of-evidence approach (and toolkit) as a preliminary and coarse assessment of the most relevant impacts of hydropower on primary components of the river ecosystem, as identified using river function indicators. Through a science-based questionnaire and predictive model, users identify which environmental indicators may be impacted during hydropower development as well as those indicators that have the highest levels of uncertainty and require further investigation. Furthermore, an assessment tool visualizes inter-dependent indicator relationships, which help formulate hypotheses about causal relationships explored through environmental studies. We apply these tools to four existing hydropower projects and one hypothetical new hydropower project of varying sizes and environmental contexts. We observed consistencies between the output of our tools and the Federal Energy Regulatory Commission licensing process (inclusive of EIAs) but also important differences arising from holistic scientific evaluations (our toolkit) versus regulatory policies. The tools presented herein are aimed at increasing the efficiency of the EIA processes that engender environmental studies without loss of rigor or transparency of rationale necessary for understanding, considering, and mitigating the environmental consequences of hydropower.

54 ENVIRONMENTAL SCIENCES↗

Using a coupled dispersion model to estimate depletion of a tritium oxide plume by a forest

Tritium processing facilities may release tritium oxide (HTO) to the atmosphere which poses potential health risks to exposed co-located workers and to offsite individuals. Most radiological consequence analyses determine HTO dose by applying Gaussian plume models to simulate the transport of HTO. Within these models, deposition velocity is used to assess the sum of all deposition processes acting on the plume. While this may account for vegetative and soil uptake or respiration processes, it may currently lack inclusion of the complex interactions within heterogeneous forested environments. In this complex morphology, dispersion patterns are significantly altered by changing flow regimes above and below the forest canopy and by the transfer of plume material across the canopy boundary. To determine the effects of a heterogeneous forest canopy on an airborne HTO plume, a Gaussian plume model coupled with an advection-diffusion plume model was applied to estimate transport in the free atmosphere above the forest and within the forest canopy and understory. During 2012, wind speed and wind direction measurements taken at 5 heights, ranging from 2-m to 28-m, on an instrumented meteorological tower located in a loblolly pine forest at the Department of Energy (DOE) Savannah River Site (SRS), near Aiken, SC. From these measurements, model predictions were made over a full spectrum of meteorological conditions. Deposition and resuspension velocities were calculated based on the model-predicted flux of plume material across the top of the forest canopy. Additionally, net deposition velocity of the plume material was calculated as the difference between the deposition and resuspension velocities. The 1st and 5th percentile net deposition velocities were estimated to be 0.7 cm s-1 and 1.2 cm s-1, respectively.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

Comparison of near-background concentrations of Argon-37 and Xenon-133 in the Atmosphere

Radioisotopes of noble gases xenon and argon can be important indicators of underground nuclear explosions. The Comprehensive Nuclear-Test-Ban Treaty (CTBT) includes monitoring capabilities to identify potential nuclear explosions conducted in violation of the CTBT. This monitoring currently focuses on measurement of the xenon isotopes 133Xe, 135Xe, 131mXe and 133mXe. However, it is predicted that within 100 days of an underground nuclear explosion (UNE) 37Ar would be released to the atmosphere at higher concentrations than xenon isotopes (Haas et al. 2010) and with a higher signal to background ratio, depending on the radioxenon background levels. Therefore, inclusion of 37Ar measurement capabilities at atmospheric International Monitoring System (IMS) stations may represent an improvement in the capability to detect a nuclear explosion. At an IMS station, it could be difficult to determine what constitutes an elevated concentration as a result of an UNE without first understanding the expected range of background concentrations. This work describes our analysis of atmospheric samples for 37Ar to evaluate the range of background concentrations. Samples were collected at multiple locations, with approximately half coming from a sampler co-located with an IMS xenon monitoring station (RN75). The range of 37Ar concentrations measured in atmospheric air samples was relatively narrow; for samples considered detectable, the minimum and maximum measured concentrations were 0.56 and 2.3 mBq/m3, respectively. Comparison of 37Ar and 133Xe concentrations measured at the IMS station indicated some correlation between the measured concentrations. The results presented here demonstrate the capability to detect background concentrations of 37Ar in atmospheric air and provide a basis for potential implementation of 37Ar monitoring at IMS stations.

Fritz, Brad G.↗

Nuclear waste Educator's workshop: What and how do we teach about nuclear waste?

A workshop was held at the Massachusetts Institute of Technology (MIT) on July 25th and 26th, 2022. The objective was to develop a blueprint for educating next-generation engineers and scientists about nuclear waste management and disposal, which requires knowledge from diverse disciplines, including nuclear, chemical, civil, environmental, and geological science and engineering. The 49 participants included university professors, researchers, industry experts, and government officials from different areas. First, we have developed a list of key fundamental knowledge on waste management and disposal across the nuclear fuel cycle. In addition, we discussed strategies on how to teach students with diverse backgrounds through innovative teaching strategies as well as how to attract students into this area. Through the workshop, we identified the critical needs to (1) develop community resources for nuclear waste education; (2) synthesize historical perspectives, including past contamination and the management of general hazardous waste; (3) emphasize a complete life-cycle perspective, including proper waste management as the key component for energy sustainability; (4) teach students how to communicate about the key facts and risks to technical and non-technical audiences; and (5) accelerate the use of the state-of-art-technologies to attract and retain a young workforce. Furthermore, we aim to build a diverse, inclusive community that supports students in developing their own narratives about nuclear waste, particularly in recognizing that antagonistic views have been important to improving safety and protecting public health and the environment.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗