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At least 1,333 records · Page 74

Physics-informed State-space Neural Networks for transport phenomena

This work introduces Physics -informed State -space neural network Models (PSMs), a novel solution to achieving real-time optimization, flexibility, and fault tolerance in autonomous systems, particularly in transportdominated systems such as chemical, biomedical, and power plants. Traditional data -driven methods fall short due to a lack of physical constraints like mass conservation; PSMs address this issue by training deep neural networks with sensor data and physics -informing using components' Partial Differential Equations (PDEs), resulting in a physics -constrained, end -to -end differentiable forward dynamics model. Further, through two in silico experiments - a heated channel and a cooling system loop - we demonstrate that PSMs offer a more accurate approach than a purely data -driven model. In the former experiment, PSMs demonstrated significantly lower average root -mean -square errors across test datasets compared to a purely data -driven neural network, with reductions of 44 %, 48 %, and 94 % in predicting pressure, velocity, and temperature, respectively. Beyond accuracy, PSMs demonstrate a compelling multitask capability, making them highly versatile. In this work, we showcase two: supervisory control of a nonlinear system through a sequentially updated state -space representation and the proposal of a diagnostic algorithm using residuals from each of the PDEs. The former demonstrates PSMs' ability to handle constant and time -dependent constraints, while the latter illustrates their value in system diagnostics and fault detection.

42 ENGINEERING↗

Resilient NdFeB magnet recycling under the impacts of COVID-19 pandemic: Stochastic programming and Benders decomposition

Neodymium-iron-boron (NdFeB) magnets are the most powerful magnets per unit volume sold in the commercial market. Despite the increasing demand for clean energy applications such as electric vehicles and wind turbines, disruptive events including the COVID-19 pandemic have caused significant uncertainties in the supply and demand for NdFeB magnets. Therefore, this study aims to alleviate the risk of supply shortage for NdFeB magnets and the containing critical materials, rare-earth elements (REEs), through the development of a resilient reverse supply chain and logistics network design. We develop scenarios to model the unique impact of the COVID-19 pandemic on the proposed business, incorporating both disruption intensity and recovery rate. We formulate a chance-constrained two-stage stochastic programming model to maximize the profit while guaranteeing the network resiliency against disruption risks. To solve the problem in large-scale instances, we develop an efficient Benders decomposition algorithm that reduces the computational time by 98.5% on average compared to the default CPLEX algorithm. When applied to the United States, the model suggests the optimal facility locations, processing capacities, inventory levels, and material flows for NdFeB magnet recyclers that could meet 99.7% of the demand. To the best of our knowledge, this study is the first to incorporate the impacts of the COVID-19 pandemic to design a resilient NdFeB magnet recycling supply chain and logistics network, leveraging risk-averse stochastic programming.

42 ENGINEERING↗

BEAM COLLIMATION IN THE PIP-II LINAC TO BOOSTER TRANSFER LINE

The new PIP-II superconducting linac will deliver a 2 mA average H⁻ beam to the existing Booster synchrotron. The injected beam is accumulated by charge exchange over approximately 300 turns; phase space painting is used to mitigate space charge effects. To limit the power load on the internal waste beam absorber from the transverse tails of the H⁻ distribution missing the foil, the beam will be collimated in both planes in the linac to Booster transfer line using compact collimators of a novel design. Both the number of parasitic hits and the fraction of the beam missing the foil are sensitive functions of the H⁻ beam centroid position with respect to the edge of the foil. The positioning of the collimation is constrained by the availability of suitable space in the transfer line lattice, by specifics of the collimator design, by the phase space orientation at the collimator, and by the betatron phase advance to the foil needed to achieve proper orientation of the spatial distribution at the injection point. In this contribution, we describe the procedure by which collimator positions were optimized. We then discuss the expected performance of the overall system.

Johnson, David E.↗

Hexagonal multiple phase-and-amplitude-shift-keyed signal sets

Selection of a particular signal set array for a bandwidth-constrained multiple phase-and-amplitude-shift-keyed (MPASK) communication system for a linear additive Gaussian noise channel requires consideration of factors such as average and/or peak power vs symbol error probability, signal amplitude dynamic range, simplicity of generation and detection, and number of bit errors per symbol error (Gray code properties). A simple technique is presented for generating and optimally detecting the honeycomb (hexagonal) signal set, i.e., the signal set that has the tightest sphere-packing properties. The symbol and bit error probability performance of this set is compared to other two-dimensional signal sets that have been investigated in the literature, and is shown to be slightly superior from an average power standpoint. The paper concludes with a comparison of all of these signal sets from the standpoint of the factors listed above.

Simon, M. K.↗

An acoustic charge transport imager for high definition television applications

The primary goal of this research is to develop a solid-state television (HDTV) imager chip operating at a frame rate of about 170 frames/sec at 2 Megapixels/frame. This imager will offer an order of magnitude improvements in speed over CCD designs and will allow for monolithic imagers operating from the IR to UV. The technical approach of the project focuses on the development of the three basic components of the imager and their subsequent integration. The camera chip can be divided into three distinct functions: (1) image capture via an array of avalanche photodiodes (APD's); (2) charge collection, storage, and overflow control via a charge transfer transistor device (CTD); and (3) charge readout via an array of acoustic charge transport (ACT) channels. The use of APD's allows for front end gain at low noise and low operating voltages while the ACT readout enables concomitant high speed and high charge transfer efficiency. Currently work is progressing towards the optimization of each of these component devices. In addition to the development of each of the three distinct components, work towards their integration and manufacturability is also progressing. The component designs are considered not only to meet individual specifications but to provide overall system level performance suitable for HDTV operation upon integration. The ultimate manufacturability and reliability of the chip constrains the design as well. The progress made during this period is described in detail.

Hunt, W. D.↗

SpectralFly: Ramanujan Graphs as Flexible and Efficient Interconnection Networks

In recent years, graph theoretic considerations have become increasingly important in the design of HPC interconnection topologies. One approach is to seek optimal or near-optimal families of graphs with respect to a particular graph theoretic property, such as diameter. For example, the SlimFly topology is based on a construction of McKay, Miller, and \v{S}ir\'{a}\v{n} which produces a diameter two graph on a number of nodes approaching the Moore bound, i.e. the largest possible diameter two graph with a fixed radix. Motivated by recent work of Aksoy, Bruillard, Young, and Raugas, we consider topologies which optimize the spectral gap rather than the diameter. In particular, we introduce a novel HPC topology, SpectralFly, designed around the Ramanujan graph construction of Lubotzky, Phillips, and Sarnak (LPS). In this work, we show that the combinatorial properties, such as diameter, bisection bandwidth, average path length, and resilience to link failure, of SpectralFly topologies are better than, or comparable to, similarly constrained DragonFly, SlimFly, and BundleFly topologies. Additionally, we simulate the performance of SpectralFly topologies on a representative sample of physics-inspired HPC workloads using the Structure Simulation Toolkit Macroscale Element Library simulator and demonstrate considerable benefit to using LPS construction as the basis of the SpectralFly topology.

graphs and networks, network topology, interconnec↗

Gleipnir: toward practical error analysis for Quantum programs

Practical error analysis is essential for the design, optimization, and evaluation of Noisy Intermediate-Scale Quantum(NISQ) computing. However, bounding errors in quantum programs is a grand challenge, because the effects of quantum errors depend on exponentially large quantum states. In this work, we present Gleipnir, a novel methodology toward practically computing verified error bounds in quantum programs. Gleipnir introduces the (ρ,δ)-diamond norm, an error metric constrained by a quantum predicate consisting of the approximate state ρ and its distance δ to the ideal state ρ. This predicate (ρ,δ) can be computed adaptively using tensor networks based on the Matrix Product States. Gleipnir features a lightweight logic for reasoning about error bounds in noisy quantum programs, based on the (ρ,δ)-diamond norm metric. Furthermore, our experimental results show that Gleipnir is able to efficiently generate tight error bounds for real-world quantum programs with 10 to 100 qubits, and can be used to evaluate the error mitigation performance of quantum compiler transformations.

Tao, Runzhou↗

Bandwidth extension and conversion efficiency improvements beyond phase matching limitations using cavity-enhanced OPCPA

The conversion efficiency and phase matching bandwidth of ultrafast optical parametric amplification (OPA) are constrained by the dispersion and nonlinear coefficient of the employed crystal as well as pulse shaping effects. In our work we show that an enhancement cavity resonant with the pump seeded at the full repetition rate of the pump laser can automatically reshape the small-signal gain in optical parametric chirped-pulse amplification (OPCPA) to achieve close-to-optimal operation. This new method termed cavity-enhanced OPCPA or C-OPCPA significantly increases both the gain bandwidth and the conversion efficiency, in addition to boosting gain for high-repetition-rate amplification. The goal in C-OPCPA is to arrive at a condition of impedance matching at all temporal coordinates, such that, in the absence of linear losses, all the incident pump power is dissipated in the nonlinear loss element, i.e., converted to signal and idler. The use of a low finesse enhancement cavity resonant with a low average power (<1W) and a high repetition rate (78MHz) pump source is shown to achieve more than 50% conversion efficiency into signal and idler from the coupled pump in an optical parametric process, whereas an equivalent amount of pump power in a single-pass configuration leads to negligible conversion. Additionally, the gain bandwidth is extended by a factor of 3-4 beyond the phase-matching limit. Our empirical observations are corroborated by a numerical analysis of depletion optimizing the single-pass case, which assesses the underlying impedance matching that is responsible for the observed performance improvements.

47 OTHER INSTRUMENTATION↗

Automated design of minimum drag light aircraft fuselages and nacelles

The constrained minimization algorithm of Vanderplaats is applied to the problem of designing minimum drag faired bodies such as fuselages and nacelles. Body drag is computed by a variation of the Hess-Smith code. This variation includes a boundary layer computation. The encased payload provides arbitrary geometric constraints, specified a priori by the designer, below which the fairing cannot shrink. The optimization may include engine cooling air flows entering and exhausting through specific port locations on the body.

Smetana, F. O.↗

Characterizing Cold Giant Planets in Reflected Light: Lessons from 50 Years of Outer Solar System Exploration and Observation

A space based coronagraph, whether as part of the WFIRST/AFTA mission or on a dedicated space telescope such as Exo-C or -S, will be able to obtain photometry and spectra of multiple gas giant planets around nearby stars, including many known from radial velocity detections. Such observations will constrain the masses, atmospheric compositions, clouds, and photochemistry of these worlds. Giant planet albedo models, such as those of Cahoy et al. (2010) and Lewis et al. (this meeting), will be crucial for mission planning and interpreting the data. However it is equally important that insights gleaned from decades of solar system imaging and spectroscopy of giant planets be leveraged to optimize both instrument design and data interpretation. To illustrate these points we will draw on examples from solar system observations, by both HST and ground based telescopes, as well as by Voyager, Galileo, and Cassini, to demonstrate the importance clouds, photochemical hazes, and various molecular absorbers play in sculpting the light scattered by solar system giant planets. We will demonstrate how measurements of the relative depths of multiple methane absorption bands of varying strengths have been key to disentangling the competing effects of gas column abundances, variations in cloud height and opacity, and scattering by high altitude photochemical hazes. We will highlight both the successes, such as the accurate remote determination of the atmospheric methane abundance of Jupiter, and a few failures from these types of observations. These lessons provide insights into technical issues facing spacecraft designers, from the selection of the most valuable camera filters to carry to the required capabilities of the flight spectrometer, as well as mission design questions such as choosing the most favorable phase angles for atmospheric characterization.

atmospheric methane abundance↗

Constraining Human Contributions to Observed Warming Since the Pre-industrial Period

Parties to the Paris Agreement agreed to holding global average temperature increases “well below 2 °C above pre-industrial levels and pursuing efforts to limit the temperature increase to 1.5 °C above pre-industrial levels”. Monitoring the contributions of human-induced climate forcings to warming so far is key to understanding progress towards these goals. Here we use climate model simulations from the Detection and Attribution Model Intercomparison Project, as well as regularized optimal fingerprinting, to show that anthropogenic forcings caused 0.9 to 1.3 °C of warming in global mean near-surface air temperature in 2010–2019 relative to 1850–1900, compared with an observed warming of 1.1 °C. Greenhouse gases and aerosols contributed changes of 1.2 to 1.9 °C and −0.7 to −0.1 °C, respectively, and natural forcings contributed negligibly. These results demonstrate the substantial human influence on climate so far and the urgency of action needed to meet the Paris Agreement goals.

Attribution↗

A Review on Direct Air Capture of Carbon Dioxide: Sorbent Materials, Process Engineering, Industrial Scale-Up, and Future Perspectives

The relentless accumulation of anthropogenic greenhouse gases has driven atmospheric carbon dioxide concentrations to approximately 426 ppm, necessitating the aggressive deployment of negative-emission technologies to achieve net zero by 2050. Direct air capture (DAC) offers a scalable, location-independent approach to atmospheric carbon removal; however, it is fundamentally constrained by the significant thermodynamic barriers associated with capturing CO 2 from ultradilute ambient conditions, requiring minimum thermodynamic energy inputs substantially higher than those for postcombustion point sources. This comprehensive review critically examines the technological landscape of DAC, focusing on the interdependent triad of sorbent material design, contactor engineering, and regeneration thermodynamics. We evaluate the fundamental boundaries of adsorption, emphasizing that an optimal adsorption enthalpy and isosteric heat of adsorption must balance the high CO 2 uptake capacity with the energetic penalties of sorbent regeneration. A systematic, comparative analysis of state-of-the-art sorbents is presented, encompassing mesoporous silicas, zeolites, carbon-based materials (CBMs), metal−organic frameworks (MOFs), porous organic polymers (POPs), and polymeric membranes. Special attention is devoted to surface functionalization strategies, particularly amine grafting and impregnation, which transition capture mechanisms from physisorption to chemisorption to enhance selectivity under ambient moisture and low partial pressures. Furthermore, we assess the operational merits of various reactor configurations, including gas−solid, gas−liquid, and membrane contactors, alongside regeneration cycles such as temperature, vacuum, pressure, and moisture swing adsorption. Finally, the review bridges fundamental materials science with industrial application by chronicling the scale-up milestones of pioneering entities and providing a strategic roadmap for advancing DAC technology readiness levels toward global deployment.

Adsorption↗

Rapid 235 U/ 238 U determination by matrix assisted ionization–time-of-flight mass spectrometry

Matrix-assisted ionization (MAI) of inorganic analytes is a nascent research domain that holds promise for rapid, potentially facility-deployable analytical applications. Here, we present results of MAI uranium isotopic analysis ( 235 U/ 238 U) obtained on the timescale of minutes utilizing simple sample preparation and an ambient ionization time-of-flight mass spectrometer (ToF MS). Experimental MAI-ToF MS characterization of uranium Certified Reference Materials (CRMs) was used to establish method calibration and validate quantitative 235 U/ 238 U determination spanning depleted, natural, and low-enriched uranium isotopic compositions. Secondary standard analyses with total uranium mass loadings of 5–500 ng per analysis yield accurate calibrated 235 U/ 238 U results and relative uncertainties of 4.7–17.2% (approx. ±95% confidence level), with weighted-mean uncertainties approaching 1.5%. This method permits accurate determination of uranium isotopic composition in a sample with uranium content as low as 200 pg for equal atom 235 U: 238 U. Instrument detection limits constrain the minimum uranium mass required to identify the presence of highly enriched uranium (HEU ≥20% 235 U) as only 500 pg using the method presented here. MAI-ToF MS quantitation of relatively extreme isotope ratios ( 235 U/ 238 U ≤ 0.01) is limited by detection of minor 235 U (LoD 100 pg 235 U/analysis ≈ 10 ng total U/analysis), and subsequent method optimization is anticipated to further reduce these limits. These findings underscore the potential of MAI-ToF MS for isotopic characterization of uranium and other inorganic species for both basic and applied science.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Combustion Synthesis of Advanced Porous Materials in Microgravity Environment

Combustion synthesis, otherwise known as self-propagating high temperature synthesis (SHS), can be used to produce engineered advanced porous material implants which offer the possibility for bone ingrowth as well as a permanent structure framework for the long-term replacement of bone defects. The primary advantage of SHS is based on its rapid kinetics and favorable energetics. The structure and properties of materials produced by SHS are strongly dependent on the combustion reaction conditions. Combustion reaction conditions such as reaction stoichiometry, particle size, green density, the presence and use of diluents or inert reactants, and pre-heating of the reactants, will affect the exothermicity of the reaction. A number of conditions must be satisfied in order to obtain high porosity materials: an optimal amount of liquid, gas and solid phases must be present in the combustion front. Therefore, a balance among these phases at the combustion front must be created by the SHS reaction to successfully engineer a bone replacement material system. Microgravity testing has extended the ability to form porous products. The convective heat transfer mechanisms which operate in normal gravity, 1 g, constrain the combustion synthesis reactions. Gravity also acts to limit the porosity which may be formed as the force of gravity serves to restrict the gas expansion and the liquid movement during reaction. Infiltration of the porous product with other phases can modify both the extent of porosity and the mechanical properties.

Zhang, X.↗

Design and characterization of a low cost CubeSat multi-band optical receiver to map water ice on the lunar surface for the Lunar Flashlight mission

Lunar Flashlight is an innovative NASA CubeSat mission dedicated to mapping water ice in the permanently shadowed regions of the Moon, which may act as cold traps for volatiles. To this end, a multi-band reflectometer will be sent to orbit the Moon. This instrument consists of an optical receiver aligned with four lasers, each of which emits sequentially at a different wavelength in the near-infrared between 1 μm and 2 μm. The receiver measures the laser light reflected from the lunar surface; continuum/absorption band ratios are then analyzed to quantify water ice in the illuminated spot. Here, we present the current state of the optical receiver design. To optimize the optical signal-to-noise ratio, we have designed the receiver so as to maximize the laser signal collected, while minimizing the stray light reaching the detector from solar-illuminated areas of the lunar surface outside the field-of-view, taking into account the complex lunar topography. Characterization plans are also discussed. This highly mass- and volume-constrained mission will demonstrate several firsts, including being one of the first CubeSats performing science measurements beyond low Earth orbit.

Sellar, Glenn R.↗

Structural Tuning of Self‐Conductive Polymer as Gas Diffusion Layer for Electrocatalytic Reactions at High Current

Electrocatalytic conversions offer a promising route for sustainable chemical production using renewable energy. Gas diffusion layers (GDLs) enable selective product formation at high current densities but suffer from electrolyte flooding, and polytetrafluoroethylene (PTFE)-based GDLs typically require metal conductive layers, which constrain catalyst development. A recently developed GDL configuration, electropolymerized poly(3,4-ethylenedioxythiophene) (PEDOT)-coated PTFE, demonstrates notable flooding resistance, but suffers from gas diffusion limitations at elevated currents due to limited gas diffusion through the PEDOT layer. Here, different dopants in PEDOT are exploited to modify the physical properties and enhance gas transport. ClO 4 − -doped PEDOT exhibits superior performance due to optimized physical structure, leading to increased gas permeance and faradaic efficiency (FE) for CO production during electrocatalytic CO 2 reduction. Further optimization of coverage and thickness achieved by adjusting charge density led to an optimal configuration at 33 mC cm −2 . This GDL supports various metal electrocatalysts and demonstrates FE CO of > 90% for over 150 h at −200 mA cm −2 using a commercial silver electrocatalyst. This work highlights the importance of GDL engineering in enhancing performance and durability for long-term electrocatalytic processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A mathematical design framework for membrane pre-concentration in energy-efficient recovery of fermentation products

Due to the dilute nature of products manufactured via fermentation and cell-free bioprocessing, dewatering is a common unit operation in downstream processing (DSP) for bioproduct recovery, but it is typically energy intensive. To improve DSP energy efficiency for bio-based small molecules, integrating high-pressure membrane pre-concentration is a promising process option. However, this approach is typically constrained by a tradeoff between concentration factor (CF) and product recovery (PR), namely increasing the CF typically results in greater product loss, and vice versa. Here we developed a model that enables process design guidelines to: (i) identify scenarios in which the additional energy consumption and product loss from membrane pre-concentration are justified for use in DSP, and (ii) determine the optimal CF that minimizes process specific energy consumption. We compared the energy consumption of high-pressure membrane-integrated processes to evaporation-only processes and applied the model to an experimental case study for the separation and purification of butyric acid from Clostridium tyrobutyricum fermentation using an in situ product recovery (ISPR) process. The model estimated that integrating a tangential-flow reverse osmosis (RO) pre-concentration unit could reduce process energy consumption up to 45%. The use of advanced membrane pre-concentration technologies, such as negative rejection membranes and organic solvent reverse osmosis (OSRO), have the potential to further reduce the overall process specific energy consumption up to 96%, projected based on modeling. Overall, membrane pre-concentration, especially when strategically integrated prior to an evaporation step with optimized process conditions, holds significant potential for improving DSP energy efficiency, particularly in applications requiring substantial solvent removal for product recovery from dilute mixtures.

09 BIOMASS FUELS↗