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At least 613 records · Page 34

GA-Based Voltage Optimization of Distribution Feeder with High-Penetration of DERs Using Megawatt-Scale Units

In this paper, genetic algorithm (GA)-based voltage optimization of a modified IEEE-34 node distribution feeder with high penetration of distributed energy resources (DERs) is proposed using two megawatt-scale reactive power sources. Traditional voltage support units present in distribution grids are not suitable for DER-rich feeders, while voltage support using small-scale DERs present in the feeder requires considerable communication effort to reach a global solution. In this work, two megawatt-scale units are placed to improve the voltage profile across the IEEE 34-node feeder, which has been modified to include several PV units and an energy storage unit. The megawatt-scale units are optimized using GA for fast and accurate operation. The performance of the proposed scheme is verified using simulation results with a multi-platform setup where the modified IEEE-34 node feeder is modeled in OpenDSS while the GA optimization scheme is programmed in MATLAB.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Real-time capable modeling of neutral beam injection on NSTX-U using neural networks

A new model of heating, current drive, torque and other effects of neutral beam injection on NSTX-U that uses neural networks has been developed. The model has been trained and tested on the results of the Monte Carlo code NUBEAM for the database of experimental discharges taken during the first operational campaign of NSTX-U. By projecting flux surface quantities onto empirically derived basis functions, the model is able to efficiently and accurately reproduce the behavior of both scalars, like the total neutron rate and shine through, and profiles, like beam current drive and heating. With this being said, the model has been tested on the NSTX-U real-time computer, demonstrating a rapid execution time orders of magnitude faster than the Monte Carlo code that is well suited for the iterative calculations needed to interpret experimental results, optimization during scenario development activities, and real-time plasma control applications. Simulation results of a proposed design for a nonlinear observer that embeds the neural network calculations to estimate the poloidal flux profile evolution, as well as Z eff and fast ion diffusivity, are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Taguchi Design of Experiment Enabling the Reduction of Spikes on the Sides of Patterned Thin Films for Tunnel Junction Fabrication

Photolithographically patterned thin films often possess unwanted spikes along the side edges. These spikes are a significant issue for the development of spinvalve memory, tunnel junction based molecular devices, and micro-electromechanical systems. Here, we report a very simple, economical, and fast way of creating an optimum photoresist profile for the production of spike-free patterned films. This approach is based on performing a soaking step in the positive-photoresist’s developer solution before the UV exposure. However, the success of this method depends on multiple photolithography factors: photoresist thickness (governed by spin speed), soft baking temperature, soaking time in developer, and exposure time. In this paper, we report our systematic experiments to study the effect of these factors by following the L9 experimental scheme of the Taguchi Design of experiment (TDOE) approach. The L9 experiment scheme effectively accommodated the study of four photolithography factors, each with three levels. After performing photolithography as per L9 TDOE scheme, we sputter deposited 20 nm Tantalum to check the side edge profile of the patterned film by atomic force microscope (AFM). We measured the heights of the spikes along the thin film edges. We utilized spike height as the desired property and chose “smaller the better” criteria for the TDOE analysis. TDOE enabled us to understand the relative importance of the parameters, relationship among the parameters, and impact of the various levels of the parameters on the thin film edge profile. TDOE analysis yielded an optimum combination of levels for the four photolithography factors. The optimum combination of photolithography factors included spin speed 4000 rpm, 100 °C soft baking temperature, 60 sec pre-soaking in the developer solution, and 15 sec UV exposure. We validated the TDOE by AFM and observed spike free patterned films. Here, we also made complete tunnel junction devices by utilizing the optimized photolithography factors for the bottom electrode and obtained excellent tunneling behavior. In summary, this study provides a very simple, economical, and fast photolithography approach for creating optimum photoresist profile for the micro-nano scale devices and electromechanical structures.

36 MATERIALS SCIENCE↗

Structure-based lead optimization to improve the antifungal potency of the tetrahydroimidazo pyridine inhibitors targeted to Candida albicans dihydrofolate reductase and lanosterol 14-alpha-demethylase

We investigate the binding and inhibition profiles for a selected dataset of tetrahydroimidazo pyridine molecules against Candida albicans dihydrofolate reductase (DHFR) and lanosterol 14-alpha-demethylase (CYP51). A hit molecule was screened and identified through Lipinski’s rule of five, ADMET (absorption, distribution, metabolism, excretion, and toxicity), and the molecular docking. Some inhibitors of our design have shown positive drug scores, good solubilities, and high docking scores over the selected dataset. The first-principles calculation based on the density functional theory was carried out to understand how the electronic distributions of frontier orbitals of molecules affect their inhibition profiles. The present structure-based approach enabled us to design new pharmacophore analogs with improved ADMET profile, drug scores, and docking scores against selected receptors. .

60 APPLIED LIFE SCIENCES↗

Exosomal proteome analysis of human plasma to monitor sepsis progression

Highlights: • As low as 300 μL human plasma is sufficient for exosome isolation using our one-step density gradient ultracentrifugation. • Protein profiling of septic plasma exosomes are closely related to immune responses. • SPTLC3 may play important roles in development of sepsis. Exosomes are cell-derived vesicles containing RNA, lipid, and protein, which act in body immune response, intercellular signaling and some other important biological processes. Exosomes have been extensively studied in the past several years on their disease related mechanisms and potential roles to monitor disease progression as biomarkers. Compared with analyzing exosome RNA, comprehensive proteome profiling of exosomes in clinical samples (e.g. blood) are highly demanded but limited mainly due to lack of a reproducible method for efficient exosome extraction. In this study, we evaluated and optimized an exosome preparation approach using one-step ultracentrifugation through an Optiprep™ cushion. Exosomes prepared via this method and analyzed by mass spectrometry using Q-Exactive plus, has led to reproducible identification and quantification of 200 + proteins from human plasma samples of as little as 300 μL. Therefore, such a straightforward exosome extract method has enable us to deeply profile exosome proteomes from human blood at a scale of clinical studies. As a proof of principal, we practiced this approach in analyzing the exosome proteomic profiles of blood samples collected from a sepsis patient during six time points after diagnosis. Among the 238 proteins identified and quantified across the 6 samples, protein SPTLC3 involved in the sphingolipid metabolism, shows a negative correlation (p = 0.02, correlation coefficient = −0.984) with disease progression indicated by body temperature (BD) and C-reactive protein (CRP). Therefore, SPTLC3 could be an interesting target for future study on molecular mechanism of sepsis development, as well as potential classifier to monitor clinical progression of sepsis.

60 APPLIED LIFE SCIENCES↗

FES 2023 Theory & Simulation Performance Target

The Report for the 2023 Theory & Simulation Performance Target (TSPT) is presented herein. The 1st, 2nd and 3rd Quarter Reports are given in Sec. I, Sec. II and Sec. III. These are unchanged from those previously submitted, except that in this final document the equations, figures and citations have been automatically renumbered. The 4th Quarter Report is given in Sec. IV. The following material presents verification calculations of several widely used three-dimensional (3D) magnetohydrodynamic (MHD) equilibrium codes in strongly shaped configurations; for both fixed and free-boundary equilibria; for the so-called vacuum case and for the case of high plasma pressure; and, for magnetic fields that have nested magnetic surfaces and for fields that have a magnetic island. The configurations studied includes the recently discovered “precise-QA” case [Phys. Rev. Lett., 128, 035001 (2002)] and other highly optimized configurations. Because of the strong (extreme) shaping, the latter of these pose challenges to the 3D MHD codes. A new method is introduced for constructing coordinates in arbitrarily shaped toroidal domains, and this can improve the robustness of 3D equilibrium calculations. Beyond the equilibrium calculation, this report demonstrates the capability of performing non-linear extended-MHD modelling of optimized stellarator equilibria. This capability allows the assessment not only of linear stability thresholds but also of the nonlinear evolution of unstable equilibria to new configurations that might be far from the original configuration, with significantly different transport properties and magnetic topology. They also enable the self-consistent determination of pressure profiles in non-integrable magnetic topology through the use of highly anisotropic thermal-transport equations. The calculations presented here represent the first demonstration of extended-MHD calculations in strongly-shaped, optimized quasi-symmetric configurations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Optimal Heliostat Assignment Strategy for Multiple-Receiver Systems

Next-generation concentrating solar power concepts currently being developed under the U.S. Department of Energy's Gen3 program include several novel heliostat field and receiver arrangements. Among these concepts are solar fields utilizing multiple receivers or several distinct receiver flux control zones, and each of which has particular power or peak flux constraints. In this paper, we present a linear program that identifies optimal heliostat-to-receiver assignment strategies for multi-receiver or multi-zone solar fields based on detailed calculations made by an optics modeling package. Two distinct problems are addressed: namely, (1) a design problem that chooses the optimal set of heliostats to include in a final layout given receiver constraints and performance, and (2) an operations problem that assigns existing heliostats to a receiver, maximizing field power output while maintaining receiver power constraints. The optimization methodology is integrated into the concentrating solar power tower modeling package SolarPILOTTM, and results are presented showing that heliostat assignment strategies can impact both initial heliostat field layout characteristics and the cost of thermal energy produced by the field. The methodology succeeds in maintaining power requirements but at the expense of producing different flux profiles on each receiver surface. Consequently, the paper also discusses additional measures that are applied to ensure that desirable flux distribution properties are maintained, reducing local flux mean-absolute-deviation values from a baseline of 17% or greater to less than 5% compared to a desired reference flux profile.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Dynamic Price Vector Formation Model-Based Automatic Demand Response Strategy for PV-Assisted EV Charging Stations

A real-time price (RTP)-based automatic demand response (ADR) strategy for PV-assisted electric vehicle (EV) Charging Station (PVCS) without vehicle to grid is proposed. The charging process is modeled as a dynamic linear program instead of the normal day-ahead and real-time regulation strategy, to capture the advantages of both global and real-time optimization. Different from conventional price forecasting algorithms, a dynamic price vector formation model is proposed based on a clustering algorithm to form an RTP vector for a particular day. A dynamic feasible energy demand region (DFEDR) model considering grid voltage profiles is designed to calculate the lower and upper bounds. A deduction method is proposed to deal with the unknown information of future intervals, such as the actual stochastic arrival and departure times of EVs, which make the DFEDR model suitable for global optimization. Finally, both the comparative cases articulate the advantages of the developed methods and the validity in reducing electricity costs, mitigating peak charging demand, and improving PV self-consumption of the proposed strategy are verified through simulation scenarios.

14 SOLAR ENERGY↗

Development of a Beam Halo Monitor

Muons, Inc. proposed improved Residual-Gas luminescent Beam Profile Monitors for Intense Beams by adding novel features including a mirascope, a light collecting device devised in the 16th century by an inventor of the telescope. A modern mirascope consists of 2 paraboloids. Light generated by the beam is collected by the paraboloids and creates a beam image. By placing a lens near the image it is possible to collect almost 100% of the emitted light, up to ten times better than existing fluorescence profilometers. Intense (multi-MW) proton beams pose a challenge for beam profile measurements. Solid-based beam intercepting instrumentation produces unallowable levels of radiation at these high powers. An alternative is to use a zero-or-low mass device such as a residual-gas profile monitor, either through collection of ionization or fluorescence. Fluorescence has an intrinsic advantage over the usual collection of ionized electrons in that it is not affected by the strong and variable electric and magnetic fields created by the beam that can distort profiles and make calibration difficult. For this reason, we proposed the fluorescence technique using the mirascope and other methods to enhance light collection and versatility by modifying the residual gas and its spatial distribution. In Phase I, we designed a mirascope and its electronics for commissioning and beam tests in a proposed Phase II. The design was based on optical simulations done in Phase I, and a physics run plan was developed for optimizing and testing. The Phase II experimental site and program have been planned and our goal is to produce a universal low cost Mirascope Residual-Gas Luminescent Beam Profile Monitor that can replace all other profile monitors currently used in accelerators.

43 PARTICLE ACCELERATORS↗

Prototype Modeling for a Light-Trapping Planar-Cavity Enclosed Particle Solar Receiver

Concentrating solar thermal (CST) systems present a promising avenue for affordable and reliable energy production. Solar receivers are key components that determine the efficiency and longevity of these systems. Particle-based solar receivers have emerged as a compelling alternative to traditional technologies, offering several advantages that address limitations in current CST systems. This is especially true as next-generation CST technologies target applications including electricity generation, thermochemical processes, and industrial process heat, many of which necessitate higher operating temperatures than current commercial molten salt systems. Molten-salt thermal energy storage (TES) systems, commonly used in CSP, face challenges related to freezing and corrosion. Particle-based TES systems, in contrast, do not experience these issues, as particles are stable at high temperatures, exceeding 1000 degrees Celsius. This capability allows for a wider range of applications, including those requiring higher temperatures for industrial processes and efficient electricity generation. A novel innovation in particle-based solar receiver technology is the light-trapping planar cavity receiver (LTPCR) configuration developed by NREL. The LTPCR design consists of small cavity-like structures using opaque planar surfaces, enabling efficient capture and absorption of solar energy. A high incident flux concentration at the cavity aperture is absorbed on the receiver walls, and subsequently transferred to particles on the inside of cavities. The particles flow through the system, forming a fluidized bed inside of the receiver panels, effectively capturing the absorbed solar heat. Air is used as a fluidizing medium in this process to enhance particle heat transfer and mixing. The effectiveness of this design lies in its ability to manage solar flux conditions and ensure high solar-to-thermal receiver efficiency. A 100-kW prototype is currently being tested at the King Saud University in Saudi Arabia to assess the receiver performance. A range of modeling analyses for the optical, thermal, and mechanical effects were conducted to assess the performance of the receiver under on-sun conditions. The solar flux resulting from the KSU heliostat field was modeled using NREL SolTrace software and produced up to 600 kW/m2 at the receiver aperture. The solar flux absorbed on the receiver walls was then used within a computational fluid dynamics (CFD) model to predict wall temperature distributions along with radiation and convection loss. A two-phase CFD model was developed for the fluidized bed of silica sand inside the receiver panels to predict local wall-to-particle heat transfer coefficients, particle temperature distributions, and outlet temperature of the particles. We have also conducted analyses to understand the thermomechanical behavior of these innovative enclosed light-trapping solar receivers optimized for particle heating. We used finite element analysis (FEA) to predict the receiver's performance using temperature distributions obtained from CFD and based on the resulting stress profiles, evaluated creep-fatigue damage with a goal of achieving a 30-year service life. Analysis showed a significant impact of the particle-to-wall heat transfer coefficients (HTCs) on receiver performance, with higher HTCs resulting in reduced stress and increased lifespan. For instance, when using Inconel 740H, increasing the HTC from 800 W/m2 K to 1400 W/m2 K increased the creep life from 4,000 hours to over 100,000 hours. This highlights the importance of understanding and optimizing heat transfer in the design of high-efficiency receivers.

14 SOLAR ENERGY↗

A deterministic method for PWR loading pattern optimization

A new deterministic approach to core loading optimization is presented. Selection of fuel enrichment and burnable poison (BP) arrangement in a pressurized water reactor (PWR) core are optimally determined subject to power peaking factor (PF) constraints. The deterministic approach is based on the method of Lagrange multipliers and the direct adjoining approach for the inequality power PF constraint. The optimality conditions are derived using calculus of variations resulting in the presence of jump conditions and a linear control Hamiltonian. The optimal control problems are addressed by simultaneously minimizing the Hamiltonian using the gradient method and performing Newton's method in different regions of the core to produce viable solutions for the controls. Without active control of the power profile in PWRs during depletion, our methodology is able to satisfy the power PF constraint at all times by proper loading selection at the beginning of cycle (BOC). This is achieved by promoting the proper burnup path forward in time during the calculation of the forward optimality conditions. Here this information is utilized in the adjoint burnup calculation, which acts to propagate the optimal control path back to the BOC during the calculation of the adjoint optimality conditions. The methodology has been developed into a new code DMCO (Deterministic Multi-Control Optimization) which can produce two-dimensional two-group depletion results in approximately seven minutes per optimization iteration on a personal computer. No application of heuristics is required and the code is capable of finding solutions from initial control distributions. A preliminary case study is presented for the Westinghouse AP600 first cycle fuel loading design which achieved an extended fuel cycle while satisfying power PF constraints.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase

RIP1 kinase regulates necroptosis and inflammation and may play an important role in contributing to a variety of human pathologies, including inflammatory and neurological diseases. Currently, RIP1 kinase inhibitors have advanced into early clinical trials for evaluation in inflammatory diseases such as psoriasis, rheumatoid arthritis, and ulcerative colitis and neurological diseases such as amyotrophic lateral sclerosis and Alzheimer’s disease. Here, we report on the design of potent and highly selective dihydropyrazole (DHP) RIP1 kinase inhibitors starting from a high-throughput screen and the lead-optimization of this series from a lead with minimal rat oral exposure to the identification of dihydropyrazole 77 with good pharmacokinetic profiles in multiple species. Additionally, we identified a potent murine RIP1 kinase inhibitor 76 as a valuable in vivo tool molecule suitable for evaluating the role of RIP1 kinase in chronic models of disease. DHP 76 showed efficacy in mouse models of both multiple sclerosis and human retinitis pigmentosa.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Sample spinning to mitigate polarization artifact and interstitial-vacancy imbalance in ion-beam irradiation

Accelerator-based ion-beam irradiation has been widely used to mimic the effects of neutron radiation damage in nuclear reactors. However, ion radiation is most often monodisperse in the incoming ions’ momentum direction, leading to excessive polarization in defect distribution, while the scattering under neutron irradiation is often more isotropic and has less radiation-induced polarization. Mitigation of the excess-polarization as well as the damage non-uniformity artifact might be crucial for making the simulation of neutron radiation by ion-beam radiation more realistic. In this work, a general radiation polarization theory in treating radiation as external polar stimuli is established to understand the natural material responses in different contexts, and the possibility to correct the defect polarization artifact in ion-beam irradiation. Inspired by Magic Angle Spinning in Nuclear Magnetic Resonance, we present a precise sample spinning strategy to reduce the point-defect imbalance effect in ion-beam irradiation. It can be seen that with optimized surface inclination angle and the axis of sample rotation, the vacancy-interstitial population imbalance, as well as the damage profile non-uniformity in a designated region in the target are both reduced. It is estimated that sample spinning frequency on the order of kHz should be sufficient to scramble the ion momentum monodispersity for commonly taken ion fluxes and dose rates, which is experimentally feasible.

36 MATERIALS SCIENCE↗

Investigating key cell types and molecules dynamics in PyMT mice model of breast cancer through a mathematical model

The most common kind of cancer among women is breast cancer. Understanding the tumor microenvironment and the interactions between individual cells and cytokines assists us in arriving at more effective treatments. Here, we develop a data-driven mathematical model to investigate the dynamics of key cell types and cytokines involved in breast cancer development. We use time-course gene expression profiles of a mouse model to estimate the relative abundance of cells and cytokines. We then employ a least-squares optimization method to evaluate the model’s parameters based on the mice data. The resulting dynamics of the cells and cytokines obtained from the optimal set of parameters exhibit a decent agreement between the data and predictions. We perform a sensitivity analysis to identify the crucial parameters of the model and then perform a local bifurcation on them. The results reveal a strong connection between adipocytes, IL6, and the cancer population, suggesting them as potential targets for therapies.

59 BASIC BIOLOGICAL SCIENCES↗

Improving I/O-aware Workflow Scheduling via Data Flow Characterization and trade-off Analysis

The scientific computing paradigm has transitioned from compute-intensive to I/O-intensive and memory-intensive in the past decade, especially when data-driven science has become common practice. Numerous empirical I/O-aware scheduling optimizations have been developed by incorporating I/O capacity and bandwidth as constraints into scheduling. Unfortunately, there is a lack of data flow (I/O) characterization tool and an understanding of trade-offs between concurrency, locality, and I/O bandwidth. To bridge the gap, this work 1) presents a set of descriptors to characterize, organize, and visualize I/O profiles, including flow size, I/O bandwidth, and operation count, which group data flows by I/O types, tasks, and files; 2) proposes an I/O Roofline model-based trade-off analysis to find the optimal trade-off between flow operational intensity, concurrency, and flow performance. The I/O descriptors generate useful insights into complicated I/O behaviors, suggesting distinct concurrency, storage, and scheduling to be used by types, tasks, and files. The proposed trade-off analysis guides scheduling decisions that generate resource assignment with the best flow parallelism. We evaluate our I/O-aware scheduling methodology on a highly I/O-intensive workflow–1000 Genomes. The experimental results demonstrate speedups of up to 2.4× compared to the state-of-the- art methods.

Guo, Luanzheng [BATTELLE (PACIFIC NW LAB)]↗

A high transmission tender X-ray monochromator employing a matched pair of multilayer grating and mirror

It is now well established that multilayer coated gratings may offer high diffraction efficiencies over the tender X-ray range, from about 1 keV to 5 keV, covering the gap between single layer coated grating monochromators and crystal monochromators. Nevertheless, few beamlines in the world are using such gratings in their monochromator. The successful implementation of a multilayer grating monochromator requires producing a matched pair of a multilayer grating and a multilayer mirror, and this matching is not straightforward as it must account for different incidence angles and refraction effects on each element. Here we review the realization of the multilayer grating monochromator of the SIRIUS beamline which has been successfully in service for several years. We show how, by alternating computer simulation with our diffraction code and measurements, we could optimize the monochromator transmission on a very wide energy range. After the grating was coated, it was found that the angle of optimal efficiency versus photon energy was significantly different from what was predicted by a simple conformal model of binary layers. Layer interdiffusion and profile smoothing during the deposition process must be added to the multilayer model to reproduce the measured data. The critical adjustment of the mirror multilayer period is achieved by the lateral translation of the mirror, which was given a small transverse period gradient. The monochromator is thus providing high transmission efficiency in the 1 to 5 keV energy range, more than 30% over 2.5 keV and up to 46% at 4.6 keV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A DDS-Based Energy Management Framework for Small Microgrid Operation and Control

The smart grid is seen as a power system with realtime communication and control capabilities between the consumer and the utility. This modern platform facilitates the optimization in energy usage based on several factors including environmental, price preferences, and system technical issues. In this paper a real-time energy management system (EMS) for microgrids or nanogrids was developed. The developed system involves an online optimization scheme to adapt its parameters based on previous, current, and forecasted future system states. The communication requirements for all EMS modules were analyzed and are all integrated over a data distribution service (DDS) Ethernet network with appropriate quality of service (QoS) profiles. In conclusion, the developed EMS was emulated with actual residential energy consumption and irradiance data from Miami, Florida and proved its effectiveness in reducing consumers’ bills and achieving flat peak load profiles.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Ion temperature measurements from tomographic reconstruction of Doppler spectra in the presence of multi-component flow in two dimensions

A new ion Doppler diagnostic has been constructed to measure ion temperature profiles in the presence of multi-component flow during magnetic reconnection experiments. The inversion technique and diagnostic setup are applicable to axisymmetric plasmas with two-component flow across the measurement cross section, which occurs during magnetic reconnection. The particular design discussed here is optimized for operation on the Magnetic Reconnection eXperiment (MRX) at Princeton Plasma Physics Laboratory. To prove the viability of this diagnostic for MRX and the future Facility for Laboratory Reconnection Experiments, measurements have been taken and ion temperature and perpendicular flow profiles have been obtained. The radial velocity on MRX does not contribute to the Doppler shift of the measured spectra but does contribute to the broadening of the spectra, while toroidal flow contributes to both. It is shown that neglecting the radial velocity for vR = 20 km/s leads to an error in the ion temperature inversion of 20%. Results from MRX discharges are shown, and the impact of radial velocity on ion temperature inversions is discussed.

Goodman, A. (ORCID:0000000336396572)↗