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At least 163 records · Page 9

Lignin Extraction and Condensation as a Function of Temperature, Residence Time, and Solvent System in Flow-through Reactors

Solvolytic extraction of lignin from biomass is a critical step in lignin-first biorefining, including the reductive catalytic fractionation (RCF) process. Key to optimal RCF processing is the ability to rapidly extract lignin from biomass at high delignification extents and transfer the lignin molecules to a catalyst surface in a time frame that minimizes lignin condensation reactions. Here, we use a flow-through reactor to study the effects of temperature (175–250 °C), residence time (9 to 36 min), and solvent composition (methanol and methanol–water) on lignin extraction and condensation. We evaluated three metrics at each condition: total delignification, delignification rate, and extent of condensation, the latter measured by a decrease in monomer yield for batch hydrogenolysis reactions of solvolysis liquor compared to batch RCF reactions. We observe that delignification is predominantly determined by temperature, while residence time dictates the lignin condensation extent. Moreover, the extent of both extraction and condensation increased in the methanol–water solvent system compared to that in the methanol system. Lignin extracted in methanol is stable up to 18-min residence times at or below 225 °C, while a majority of the lignin extracted in methanol–water is condensed with a 9-min residence time at 200 °C. These results can inform reactor designs and solvent selection for lignin-first biorefining processes that aim to physically separate the biomass and catalyst.

biorefining↗

Antifoam Development for Eliminating Flammability Hazards and Decreasing Cycle Time in the Defense Waste Processing Facility

Foam, due to the high gas generation rates of boiling and chemical reaction offgasing, requires control measures to prevent the foam from contaminating the condensate and to facilitate efficient plant operation. Antifoam was utilized to minimize foam production during chemical processing in the DWPF and during High-Level Waste (HLW) evaporation at SRS and Hanford. However, the current antifoam used in the SRS DWPF increases flammability risk during chemical processing (generates three flammable degradation products) and while feeding the melter (can decompose to CO/hydrogen). It is also the likely source of methyl functional groups for the organo-mercury present in the tank farm and excessive mercury in Saltstone. Additionally, the planned startup of Salt Waste Processing Facility (SWPF), with much higher throughput, will challenge DWPF to process at higher gas generation rates. DWPF employs Antifoam 747, a superspreader produced by Momentive Performance Materials, as an antifoaming agent during waste processing. During DWPF chemical processing, antifoam must be effective up to boiling (i.e., up to 103°C) and between a pH of 3-13. Antifoam 747 is most effective at a pH range of 6-8 and degrades as pH deviates. In addition, SRNL identified three flammable antifoam degradation products using mass spectrometer (MS) and fourier transform infrared (FTIR) offgas analyzers during simulations. A new antifoam or a new method to control foam is needed to minimize DWPF processing time and reduce the risk of contamination. In addition, testing should be completed to ensure that other antifoams used in HLW processing do not have similar flammability hazards or cause unintended impacts in downstream processing.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

SCR-based Medium Voltage DC Solid-State Circuit Breaker

This paper describes a medium voltage solid-state circuit breaker (SSCB) based on SCR technology, featuring short fault-interruption time and a minimal turn-off auxiliary circuit. The SSCB design incorporates a specialized SCR and a commutation circuit designed with an objective to reduce the required SCR hold-off/turn-off time, tq, which primarily determines the fault interruption duration. To validate the design, simulation analysis is presented, and a 1.5 kV 300 A SSCB prototype has been built and tested. The results confirm the effectiveness of the proposed design philosophy demonstrating the SSCB's ability to interrupt a 200 A load current in less than 50 μs. The proposed SCR-based SSCB has been developed for DC applications but is equally applicable to AC applications.

Kandula, Prasad [ORNL] (ORCID:0000000174017284)↗

New Instrument for Time-Resolved OH and HO 2 Quantification in High-Pressure Laboratory Kinetics Studies

Here, we have constructed a new time-resolved high-pressure fluorescence assay by gas expansion (HP-FAGE) apparatus, optimized for the detection of OH and HO 2 radicals in complex gas-phase reactions. The new instrument fills a gap in the existing experimental toolkit for chemical kinetics by enabling the quantification of two key reactive species with microsecond time resolution from high-pressure sources, which was previously not attainable. The HP-FAGE is interfaced with a flow reactor, designed for pressures up to 100 bar and temperatures up to 1000 K, in which reactions are initiated by laser photolysis of radical precursors at repetition rates of 1–10 Hz. The HP-FAGE samples gas out of the reactor into a miniature FAGE chamber, where OH is detected by resonant laser-induced fluorescence using a time-delayed probe laser pulse. HO 2 is converted to OH via reaction with NO and then detected by OH fluorescence. The novel FAGE design places the probe region very close to the gas expansion, minimizing the transport time of sampled molecules and resulting in time resolution better than 20 μs for both OH and HO 2 . We calibrate the sensitivity of HP-FAGE, validate its performance with measurements of well-known reaction kinetics (OH + CH 4 , OH + OH, OH + HO 2 , and HO 2 + HO 2 ), and discuss prospects for its future use.

calibration↗

Criticality Analysis of Wind Turbine Components - Intern Poster [Poster]

Wind turbines are an important part of critical energy infrastructure, with wind farms generating more than 10% of US energy in 2023. The goal of this project is to identify and analyze major, common components of wind turbines to reach a preliminary understanding of which should be considered most critical in terms of turbine operation and attack surface. At the time of this project, minimal data was available regarding component costs and lead times, so a qualitative risk assessment approach was used. Components were given a score of 1-5 in four categories– cost to repair, operational downtime, ease of physical attack, and ease of cyber attack. An overall component criticality score was assigned based on the sum of those scores, with a higher score indicating higher criticality. The turbine control system was identified as the most critical component, closely followed by the blades, structural components, and gearbox. This is ongoing project, and further research on the supply chain for wind turbine components will allow for a deeper and more concrete understanding of component criticality.

17 WIND ENERGY↗

Ansatz-Free Hamiltonian Learning with Heisenberg-Limited Scaling

Learning the unknown interactions that govern a quantum system is crucial for quantum information processing, device benchmarking, and quantum sensing. The problem, known as Hamiltonian learning, is well understood under the assumption that interactions are local, but this assumption may not hold for arbitrary Hamiltonians. Previous methods all require high-order inverse polynomial dependency with precision, unable to surpass the standard quantum limit and reach the gold-standard Heisenberg-limited scaling. Whether Heisenberg-limited Hamiltonian learning is possible without prior assumptions about the interaction structures, a challenge we term ansatz-free Hamiltonian learning , remains an open question. In this work, we present a quantum algorithm to learn arbitrary sparse Hamiltonians without any structure constraints using only black-box queries of the system’s real-time evolution and minimal digital controls to attain Heisenberg-limited scaling in estimation error. Our method is also resilient to state-preparation-and-measurement errors, enhancing its practical feasibility. We numerically demonstrate our ansatz-free protocol for learning physical Hamiltonians and validating analog quantum simulations, benchmarking our performance against the state-of-the-art Heisenberg-limited learning approach. Moreover, we establish a fundamental trade-off between total evolution time and quantum control on learning arbitrary interactions, revealing the intrinsic interplay between controllability and total evolution-time complexity for any learning algorithm. These results pave the way for further exploration into Heisenberg-limited Hamiltonian learning in complex quantum systems under minimal assumptions, potentially enabling new benchmarking and verification protocols.

machine learning↗

A Palette of Minimally Tagged Sucrose Analogues for Real-Time Raman Imaging of Intracellular Plant Metabolism

Sucrose is the main saccharide used for longdistance transport in plants and plays an essential role in energy metabolism; however, there are no analogues for real-time imaging in live cells. We have optimised a synthetic approach to prepare sucrose analogues including very small ( 50 Da or less) Raman tags in the fructose moiety. Spectroscopic analysis identified the alkyne-tagged compound 6 as a sucrose analogue recognised by endogenous transporters in live cells and with higher Raman intensity than other sucrose derivatives. Herein, we demonstrate the application of compound 6 as the first optical probe to visualise real-time uptake and intracellular localisation of sucrose in live plant cells using Raman microscopy.

60 APPLIED LIFE SCIENCES↗

Yet Another Sunshine Mystery: Unexpected Asymmetry in GeV Emission from the Solar Disk

The Sun is one of the most luminous γ-ray sources in the sky and continues to challenge our understanding of its high-energy emission mechanisms. This study provides an in-depth investigation of the solar disk γ-ray emission, using data from the Fermi Large Area Telescope spanning 2008 August to 2022 January. We focus on γ-ray events with energies exceeding 5 GeV, originating from 0°5 angular aperture centered on the Sun, and implement stringent time cuts to minimize potential sample contaminants. We use a helioprojection method to resolve the γ-ray events relative to the solar rotation axes and combine statistical tests to investigate the distribution of events over the solar disk. We found that integrating observations over large time windows may overlook relevant asymmetrical features, which we reveal in this work through a refined time-dependent morphological analysis. We describe significant anisotropic trends and confirm compelling evidence of energy-dependent asymmetry in the solar disk γ-ray emission. Intriguingly, the asymmetric signature coincides with the Sun's polar field flip during the cycle 24 solar maximum, around 2014 June. Our findings suggest that the Sun's magnetic configuration plays a significant role in shaping the resulting γ-ray signature, highlighting a potential link between the observed anisotropies, solar cycle, and the solar magnetic fields. These insights pose substantial challenges to established emission models, prompting fresh perspectives on high-energy solar astrophysics.

79 ASTRONOMY AND ASTROPHYSICS↗

A comprehensive review of dwell time optimization methods in computer-controlled optical surfacing

Dwell time plays a vital role in determining the accuracy and convergence of the computer-controlled optical surfacing process. However, optimizing dwell time presents a challenge due to its ill-posed nature, resulting in non-unique solutions. To address this issue, several well-known methods have emerged, including the iterative, Bayesian, Fourier transform, and matrix-form methods. Despite their independent development, these methods share common objectives, such as minimizing residual errors, ensuring dwell time's positivity and smoothness, minimizing total processing time, and enabling flexible dwell positions. This paper aims to comprehensively review the existing dwell time optimization methods, explore their interrelationships, provide insights for their effective implementations, evaluate their performances, and ultimately propose a unified dwell time optimization methodology.

36 MATERIALS SCIENCE↗

Per-Phase and 3-Phase Optimal Coordination of Directional Overcurrent Relays Using Genetic Algorithm

Penetration of the power grid by renewable energy sources, distributed storage, and distributed generators is becoming increasingly common. Increased utilization of these distributed energy resources (DERs) has given rise to additional protection coordination concerns, particularly where they are utilized in an unbalanced manner or where loading among phases is unbalanced. Digital relays such as the SEL-751 (produced by Schweitzer Engineering Laboratories, Pullman, WA, USA) series have the capability of being set on a per-phase basis. This capability is underutilized in common practice. Additionally, in optimization algorithms for determining relay settings, the time-overcurrent characteristics (TOCs) of relays are generally not treated as variables and are assigned before running the optimization algorithm. In this paper, TOC options themselves are treated as discrete variables to be considered in the optimization algorithm. A mixed integer nonlinear programming problem (MINLP) is set up where the goal is to minimize relay operating times. A genetic algorithm (GA) approach is implemented in MATLAB where two cases are considered. In the first case, the TOC and Time dial setting (TDS) of each relay is set on a three-phase basis. In the second case, per-phase settings are considered. Relay TDSs and TOCs are both considered as simultaneous discrete control variables. Despite the stochastic nature of using per-phase settings for unbalanced systems is found to generally allow for shorter operating times. However, for relatively balanced systems, it is best to use three-phase settings if computation time is of importance.

Matthews, Ronald C.↗

A rotationally invariant approach based on Gutzwiller wave function for correlated electron systems

Here, we introduce a rotationally invariant approach combined with the Gutzwiller conjugate gradient minimization method to study correlated electron systems. In the approach, the Gutzwiller projector is parametrized based on the number of electrons occupying the onsite orbitals instead of the onsite configurations. The approach efficiently groups the onsite orbitals according to their symmetry and greatly reduces the computational complexity, which yields a speedup of $20 \sim 50 \times $ in the minimal basis energy calculation of dimers. The computationally efficient approach promotes more accurate calculations beyond the minimal basis that is inapplicable in the original approach. A large-basis energy calculation of F 2 demonstrates favorable agreements with standard quantum-chemical calculations Bytautas et al (2007 J. Chem. Phys. 127 164317).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Reinforcement Learning for Load-balanced Parallel Particle Tracing

We explore an online reinforcement learning (RL) paradigm to dynamically optimize parallel particle tracing performance in distributed-memory systems. Our method combines three novel components: (1) a work donation algorithm, (2) a high-order workload estimation model, and (3) a communication cost model. First, we design an RL-based work donation algorithm. Our algorithm monitors workloads of processes and creates RL agents to donate data blocks and particles from high-workload processes to low-workload processes to minimize program execution time. The agents learn the donation strategy on the fly based on reward and cost functions designed to consider processes' workload changes and data transfer costs of donation actions. Second, we propose a workload estimation model, helping RL agents estimate the workload distribution of processes in future computations. Third, we design a communication cost model that considers both block and particle data exchange costs, helping RL agents make effective decisions with minimized communication costs. We demonstrate that our algorithm adapts to different flow behaviors in large-scale fluid dynamics, ocean, and weather simulation data. Our algorithm improves parallel particle tracing performance in terms of parallel efficiency, load balance, and costs of I/O and communication for evaluations with up to 16,384 processors.

Distributed and parallel particle tracing↗

Rapid measurement of RH-dependent aerosol hygroscopic growth using a humidity-controlled fast integrated mobility spectrometer (HFIMS)

Abstract. The ability of aerosol particles to uptake water (hygroscopic growth) is an important determinant of aerosol optical properties and radiative effects. Aerosol hygroscopic growth is traditionally measured by humidified tandem differential mobility analyzers (HTDMA), in which size-selected dry particles are exposed to elevated relative humidity (RH), and the size distribution of humidified particles is subsequently measured using a scanning mobility particle sizer. As a scanning mobility particle sizer can measure only one particle size at a time, HTDMA measurements are time consuming, and ambient measurements are often limited to a single RH level. Pinterich et al. (2017b) showed that fast measurements of aerosol hygroscopic growth are possible using a humidity-controlled fast integrated mobility spectrometer (HFIMS). In HFIMS, the size distribution of humidified particles is rapidly captured by a water-based fast integrated mobility spectrometer (WFIMS), leading to a factor of ∼10 increase in measurement time resolution. In this study we present a prototype HFIMS that extends fast hygroscopic growth measurements to a wide range of atmospherically relevant RH values, allowing for more comprehensive characterizations of aerosol hygroscopic growth. A dual-channel humidifier consisting of two humidity conditioners in parallel is employed such that aerosol RH can be quickly stepped among different RH levels by sampling from alternating conditioners. The measurement sequence is also optimized to minimize the transition time between different particle sizes. The HFIMS is capable of measuring aerosol hygroscopic growth of six particle diameters under five RH levels ranging from 20 % to 85 % (30 separate measurements) every 25 min. The performance of this HFIMS is characterized and validated using laboratory-generated ammonium sulfate aerosol standards. Measurements of ambient aerosols are shown to demonstrate the capability of HFIMS to capture the rapid evolution of aerosol hygroscopic growth and its dependence on both size and RH.

54 ENVIRONMENTAL SCIENCES↗

High-Performance Integrated Window and Façade Solutions for California

The researchers developed a new generation of high-performance façade systems and supporting design and management tools to support industry in meeting California’s greenhouse gas reduction targets, reduce energy consumption, and enable an adaptable response to minimize real-time demands on the electricity grid. The project resulted in five outcomes: (1) The research team developed an R-5, 1-inch thick, triplepane, insulating glass unit with a novel low-conductance aluminum frame. This technology can help significantly reduce residential cooling and heating loads, particularly during the evening. (2) The team developed a prototype of a windowintegrated local ventilation and energy recovery device that provides clean, dry fresh air through the façade with minimal energy requirements. (3) A daylight-redirecting louver system was prototyped to redirect sunlight 15–40 feet from the window. Simulations estimated that lighting energy use could be reduced by 35–54 percent without glare. (4) A control system incorporating physics-based equations and a mathematical solver was prototyped and field tested to demonstrate feasibility. Simulations estimated that total electricity costs could be reduced by 9-28 percent on sunny summer days through adaptive control of operable shading and daylighting components and the thermostat compared to state-of-the-art automatic façade controls in commercial building perimeter zones. (5) Supporting models and tools needed by industry for technology R&D and market transformation activities were validated. Attaining California’s clean energy goals require making a fundamental shift from today’s ad-hoc assemblages of static components to turnkey, intelligent, responsive, integrated building façade systems. These systems offered significant reductions in energy use, peak demand, and operating cost in California.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Delivery Ring Spill Characterization and Impulse Study

High-intensity particle physics experiments require uniform beam extraction to prevent instantaneous rate spikes from overwhelming detector systems. By analyzing accelerator parameters and extracted beam dynamics, we directly inform spill regulation systems that make real-time adjustments to minimize non-uniformity. This Department of Energy Visiting Faculty Program project transitioned from characterizing Main Injector half-integer slow extraction for SpinQuest to Delivery Ring third-integer slow extraction for Mu2e. Working alongside the Fast Adaptive Neural Control (FANC) group, we developed an automated pipeline that aligns asynchronous instrument channels, embeds quality metrics, and isolates clean spill populations. Analyzing baseline spills alongside a dedicated quadrupole impulse study allowed us to quantify noise structures while mapping time-varying beam response and transit-delay dynamics. These empirical measurements directly ground digital twin models, supporting FANC’s deployment of real-time, FPGA-based neural network controllers in the Mu2e Spill Regulation System.

Dolen, James William [Purdue U., West Lafayette] (↗

Smarter building start – A distributed solution

A significant focus of research and new technologies for reducing energy use in buildings is on operating the systems more efficiently during the times when the systems are active. However, there is a large potential for energy savings in determining the periods when the systems should or should not be active. This scheduling aspect of operation is often overlooked even though relatively simple solutions can unlock substantial energy savings. In this paper we describe a smart building start (SBS) algorithm that considers multiple zones in a building to determine individual schedules for room controllers as well as the central systems based on solving a simple optimization problem. Application of the SBS algorithm to multiple interconnected systems enables a staggered start-up that minimizes peak loads and also ensures comfort is within a target range with minimal system run time. The SBS algorithm extends the capability of traditional optimal start and is designed to be simple to deploy and robust. Simulation results as well as results from tests in a real building with a VAV system are presented. The presented algorithm is applicable to any type of building with a zonal or multi-zone HVAC system. To function, it needs to be able to change setpoints in rooms and monitor room temperatures, as well as, if desired, turn the central system on or off.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Fast and Accurate Core Analysis by the Full-Immersion Pressure-Pulse Decay: Part 1—Theory

Summary Core-scale measurements are considered the ground truth that oil and gas or electric utility companies use to predict the migration of fluids such as oil, natural gas, carbon dioxide, or brine deep underground during their extraction or injection operations. To provide a greater understanding of petrophysical properties of low-permeability geologic formations such as shales and tight gas sandstones, this study introduces a novel core-analysis procedure. The technique follows conventional pressure-pulse-decay permeametry, where the pressure in an inlet chamber adjacent to a cylindrical core plug undergoes a rapid pressurization, the system is shut in, and the pressure reaches a new equilibrium. However, unlike a standard unidirectional pressure-pulse decay, the full-immersion pressure-pulse decay (Hannon 2019) applies a pressure disturbance to the entire outer surface area of the sample. This article covers the numerical simulator designed to model flow through an anisotropic porous sample in this scenario. The model assumes distinct but uniform permeabilities along the radial and axial directions of the cylindrical plug sample. When extracting a plug vertically (or perpendicular to bedding), the permeability along the radial direction associates with the horizontal permeability (i.e., parallel to bedding), whereas in the axial direction, flow occurs perpendicular to bedding (a vertical permeability). Investigations of these model outputs demonstrate an approximately 20-fold decrease in time to complete a full-immersion experiment compared with conventional pressure-pulse decay. Furthermore, the pressure-decay curves resulting from the full-immersion method have slightly different shapes than those resulting from other unidimensional transient methods. These differences begin to demonstrate that, under achievable experimental conditions, the analysis of pressure data from one full-immersion test could enable the simultaneous estimation of the apparent permeabilities parallel and perpendicular to bedding of a cylindrical sample in addition to its porosity. A follow-up article finalizes the proof of this capability with a parameter-estimation procedure and presents experimental verification through a proof-of-concept study. Described in greater detail in that article, the parameter estimator requires multiple forward simulations to analyze the data, which behooves minimizing the compute time for each simulation. By using an alternating direction implicit time-marching scheme and a structured but variably spaced grid, the numerical simulator built for this purpose provides a forward model output with suitable accuracy in approximately 0.5 seconds.

Energy & Fuels↗

Characterization of a Pixelated Cadmium Telluride Detector System Using a Polychromatic X-Ray Source and Gold Nanoparticle-Loaded Phantoms for Benchtop X-Ray Fluorescence Imaging

In this paper, the imaging dose and scan time have been considered as the two major constraints for routine benchtop x-ray fluorescence computed tomography (XFCT) imaging. One way to address this issue is to acquire x-ray fluorescence (XRF) signals in parallel through a 2D array of single-crystal detectors or a pixelated detector along with the cone-beam x-ray source. To identify a detector system suitable for this purpose, a commercially available, fully spectroscopic cadmium telluride (CdTe) pixelated detector, HEXITEC (High-Energy X-ray Imaging Technology), was tested under the experimental conditions optimized for benchtop XFCT imaging of gold nanoparticles (GNPs). Specifically, two different parallel-hole stainless steel collimators were fabricated and coupled with the detector for seamless integration into our existing benchtop cone-beam XFCT system. After the detector deployment, this benchtop XFCT system was used to detect XRF photons from GNP-loaded phantoms. A pixel-merging algorithm was introduced to enhance the sensitivity of XRF photon detection thereby minimizing the scan time. The effect of pixel-level charge sharing correction algorithms was investigated within the context of benchtop XFCT imaging. The detector energy resolution, in terms of the full width at half maximum (FWHM) values at different gold K-shell XRF energies, was also determined. Of the two charge sharing correction algorithms examined, the charge sharing addition gave better sensitivity than the charge sharing discrimination (csd). On the other hand, under the current experimental conditions, the energy resolution of the HEXITEC detector was the best with the csd and estimated to be 1.56 keV FWHM at 66-69 keV photon energy. Overall, despite some degradation of the detector energy resolution (compared with typical single crystal CdTe detectors), the HEXITEC detector enabled parallel data acquisition under the experimental conditions typical of benchtop XFCT imaging and operated well within our benchtop XFCT setup.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗