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At least 127 records · Page 7

Feature Engineering and Ensemble Methods for Imbalanced ICS Intrusion Detection: Pipeline Audit and Constrained Evaluation

Industries are becoming increasingly connected and are more vulnerable to cyberattacks due to the widened attack surface. Industrial Control Systems (ICS) are among the most critical sectors that malicious actors can target, as such attacks can cause significant operational disruption and physical damage. It is imperative to detect such attacks as early as possible. This paper evaluates constraint-conditioned optimistic performance estimates for traditional ML models in ICS intrusion detection (i.e., estimates obtained under contiguous, non-shuffled temporal evaluation without test-set alteration, but with pre-split feature engineering that may introduce temporal leakage, due to dataset constraints). Our findings are threefold. First, we quantify how iterative feature engineering affects tree-based ensemble performance and examine how pipeline decisions (split strategy, sampling scope, and cleaning policy) can inflate or reduce reported IDS results under constraint-bound evaluation. Second, we compare intrinsic class-imbalance handling across ensemble models. Third, under our current pipeline constraints (including pre-split feature engineering), CatBoost achieves the best performance on Water Storage Tank (accuracy: 0.9831, class-1 F1: 0.9682), while Light- GBM achieves the best performance on Gas Pipeline (accuracy: 0.9618, class-1 F1: 0.9086).

97 MATHEMATICS AND COMPUTING↗

Conceptual Design of Pulverized Coal Electricity Generating Units for Flexible Operation

This National Energy Technology Laboratory (NETL) study addresses the conceptual design of greenfield pulverized coal (PC) plants intended for flexible rather than high capacity factor baseload operation. The United States has plentiful, low-cost natural gas resources - studies of aggressive decarbonization scenarios of the US energy sector suggest that the variability of carbon-free power can be economically addressed using dispatchable natural gas-fueled generation. Globally, natural gas resources are not as plentiful or low cost; consequently, some regions of the world are anticipated to continue to rely upon coal generation, even as they pursue decarbonization efforts. To support the increased utilization of variable renewable generation in these coal-dependent regions, plant designs must target low-capacity factor coal plants with increased emphasis on flexibility attributes such as start-up times, ramp rates, minimum load, and part-load heat rates. While much work has been performed on the improvement of the flexibility for existing coal plants originally designed for baseload service, little public literature exists on clean sheet design for flexible operation. This conceptual design study aims to define the features, performance characteristics, and costs for greenfield coal plants intended for flexible operation. Quantifying these characteristics provides critical information required by utility owners, grid planners, energy market modelers, and energy policy decision makers in coal-dependent regions of the world to better understand how coal-fired power plants can support a transition to low carbon generation.

20 FOSSIL-FUELED POWER PLANTS↗

Low Carbon Intensity Formic Acid Chemical Synthesis from Direct Air Captured CO 2 Utilizing Chemical Plant Waste Heat - Final Technical Report

The primary objective of Low Carbon Intensity Formic Acid Chemical Synthesis from Direct Air Captured CO 2 Utilizing Chemical Plant Waste Heat (ChemFADAC) is to execute and complete a FEED study for an integrated direct air capture (DAC) and carbon conversion system (together, the DACUS system) co-located at a Nutrien nitric acid production facility in Kennewick, WA capable of capturing and converting a minimum of 5,000 MT/year net atmospheric CO 2 to low carbon intensity formic acid (FA) using industrial waste heat and renewable electricity. The goal will be achieved through the completion of four objectives using a collaborative approach with community stakeholders. Objective 1. Conduct a FEED study and Class 3 project cost estimate for the proposed DACUS system that maximizes use of thermal energy from the Nutrien KFO host site to produce low carbon intensity FA from atmospheric CO 2 . Objective 2. Perform a cradle-to-gate life-cycle analysis of the DACUS system to determine the environmental sustainability and carbon intensity (CI) of the proposed project and product from the results of the FEED study. Objective 3. Perform a business case analysis from results of the LCA, FEED study and cost estimate to justify investment to build the DACUS project at the Nutrien KFO site. Objective 4. Quantify how deployment of the proposed technology will promote and prepare a ready workforce for clean energy and manufacturing jobs and coordinate with community stakeholders to perform an environmental justice and a preliminary economic revitalization and job creation outcomes analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Adaptable SEC‐SAXS data collection for higher quality structure analysis in solution

Abstract The two major challenges in synchrotron size‐exclusion chromatography coupled in‐line with small‐angle x‐ray scattering (SEC‐SAXS) experiments are the overlapping peaks in the elution profile and the fouling of radiation‐damaged materials on the walls of the sample cell. In recent years, many post‐experimental analyses techniques have been developed and applied to extract scattering profiles from these problematic SEC‐SAXS data. Here, we present three modes of data collection at the BioSAXS Beamline 4–2 of the Stanford Synchrotron Radiation Lightsource (SSRL BL4‐2). The first mode, the High‐Resolution mode, enables SEC‐SAXS data collection with excellent sample separation and virtually no additional peak broadening from the UHPLC UV detector to the x‐ray position by taking advantage of the low system dispersion of the UHPLC. The small bed volume of the analytical SEC column minimizes sample dilution in the column and facilitates data collection at higher sample concentrations with excellent sample economy equal to or even less than that of the conventional equilibrium SAXS method. Radiation damage problems during SEC‐SAXS data collection are evaded by additional cleaning of the sample cell after buffer data collection and avoidance of unnecessary exposures through the use of the x‐ray shutter control options, allowing sample data collection with a clean sample cell. Therefore, accurate background subtraction can be performed at a level equivalent to the conventional equilibrium SAXS method without requiring baseline correction, thereby leading to more reliable downstream structural analysis and quicker access to new science. The two other data collection modes, the High‐Throughput mode and the Co‐Flow mode, add agility to the planning and execution of experiments to efficiently achieve the user's scientific objectives at the SSRL BL4‐2.

Matsui, Tsutomu↗

Structure Activity Relationship Approach toward the Improved Separation of Rare-Earth Elements Using Diglycolamides

The separation of adjacent lanthanides continues to be a challenge worldwide because of the similar physical and chemical properties of these elements and a necessity to advance the use of clean-energy applications. In this paper, a systematic structure–performance relationship approach toward understanding the effect of N-alkyl group characteristics in diglycolamides (DGAs) on the separation of lanthanides(III) from a hydrochloric acid medium is presented. In addition to the three most extensively studied DGA complexants [N,N,N',N'-tetra(n-octyl)diglycolamide, TODGA; N,N,N',N'-tetra(2-ethylhexyl)diglycolamide, TEHDGA; N,N'-dimethyl-N,N'-di(n-octyl)diglycolamide, DMDODGA], 12 new extracting agents with varying substitution patterns were designed to study the interplay of steric and electronic effects that control rare-earth element extraction. Subtle changes in the structure around diglycolamide carbonyl oxygen atoms result in dramatic shifts in the lanthanide extraction strength and selectivity. The effects of the chain length and branching position of N-alkyl substituents in DGAs are elaborated on with the use of experimental, computational, and solution-structure characterization techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multi-junction solar cells paving the way for super high-efficiency

In order to realize a clean energy society by using renewable energies, high-performance solar cells are a very attractive proposition. The development of high-performance solar cells offers a promising pathway toward achieving high power per unit cost for many applications. As state-of-the-art of single-junction solar cells are approaching the Shockley–Queisser limit of 32%–33%, an important strategy to raise the efficiency of solar cells further is stacking solar cell materials with different bandgaps to absorb different colors of the solar spectrum. The III–V semiconductor materials provide a relatively convenient system for fabricating multi-junction solar cells providing semiconductor materials that effectively span the solar spectrum as demonstrated by world record efficiencies (39.2% under one-sun and 47.1% under concentration) for six-junction solar cells. This success has inspired attempts to achieve the same with other materials like perovskites for which lower manufacturing costs may be achieved. Recently, Si multi-junction solar cells such as III–V/Si, II–VI/Si, chalcopyrite/Si, and perovskite/Si have become popular and are getting closer to economic competitiveness. Here, we discuss the perspectives of multi-junction solar cells from the viewpoint of efficiency and low-cost potential based on scientific and technological arguments and possible market applications. In addition, this article provides a brief overview of recent developments with respect to III–V multi-junction solar cells, III–V/Si, II–VI/Si, perovskite/Si tandem solar cells, and some new ideas including so-called 3rd generation concepts.

14 SOLAR ENERGY↗

Budget-Constrained Sizing of Renewable and Energy Storage Systems for Farm-Scale Ammonia Production Within the Food-Energy-Water Nexus

In the transition toward sustainable agriculture, farms have emerged as eco-friendly pioneers, harnessing clean hybrid wind and solar systems to improve farm performance. A concern in this paradigm is the effective sizing of renewable energy systems to ensure optimal energy use within budget considerations. This research focuses on optimizing renewable energy sizing in small-scale ammonia production to meet specific farm demands and enhance local resilience, emphasizing the interplay between environmental and economic factors. These findings promise increased energy efficiency and sustainability in this innovative agricultural sector. Additionally, our approach considers small-scale ammonia plant needs and the dynamic relationships between ammonia, water, and farm demands. Simulations demonstrate substantial cost savings in farm electricity consumption. Specifically, scenarios with renewable energy integration in the farm can reduce at least 13% electricity cost compared to a grid-dependent system in the 15-year simulation.

ammonia↗

Studies of surface adsorbate electronic structure and femtochemistry at the fundamental length and time scales. Final report

The electronic structure and ultrafast (10-15 s-femtosecond timescale) electron dynamics were investigated for clean and atom/molecule covered metal surfaces. The studies were performed by scanning tunneling microscopy (STM) to measure the structure of adsorbed atoms and molecules on metal surfaces, and to investigate their electronic properties. The electronic structure of the observed molecular networks was calculated by electronic structure theory in collaboration with Prof. Jin Zhao, who is a long-time collaborator, a Professor at the University of Science and Technology of China, and holds an Adjunct Professorship at the University of Pittsburgh. We also investigated the electronic properties of C60 molecules when they are templated by corrugated black phosphorous surfaces. We found unexpected charge delocalization that is enabled by the templating. This research was done in collaboration with Professor Min Feng at the Wuhan University, and who also holds an Adjunct Professorship at the University of Pittsburgh. Moreover, the electronic structure and electron dynamics in metal surfaces were investigated by time-resolved photoemission electron spectroscopy. The focus of ultrafast spectroscopy has been on the plasmonic response of silver surfaces. One direction has been to develop multidimensional (energy, momentum, and time) photoelectron spectroscopy of the coherent response of solid surfaces. This method was applied to study the collective electron excitations known generally as plasmons, which screen optical fields from penetration into metals. Although this collective response has been known for more than 60 years and is used extensively to deposit optical energy into metals, how this happens is poorly known. We investigated the plasmonic response of silver at the point where the dielectric response passes through zero and bulk plasmon is excited by light. We discovered that the plasmon excitation decays by exciting electrons from the Fermi level of a metal, which is contrary to what is believed in the plasmonic science community. This research has been performed in collaboration with Dr. Marcel Reutzel, who was a postdoctoral fellow working on this research at the University of Pittsburgh, and now has a faculty position at the University of Göttingen in Germany. Prof. Branko Gumhalter from the Institute of Physics in Zagreb contributed on the theory of plasmonic decay processes. Furthermore, we investigated the Floquet engineering of electronic bands in metals leading to multiphoton photoemission and above threshold photoemission. Finally, we demonstrated that it is possible to change the electronic structure of metals by application of optical fields. Our studies indicated that this happens on subfemtosecond time scale and could potentially be used in ultrafast information processing and quantum computation. Related document information

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Characterization of the GEM chambers for the SBS/BB Front Tracker at JLAB HallA

The present thesis discusses the main aspects and results of the ongoing SBS-GEM development, production and test, according to the following structure: - In chapter 1 the theoretical and experimental importance of nucleon electromagnetic form factors is described. Furthermore, the discrepancy of ep scattering data obtained about the FFs ratio between the Rosenbluth separation method and the polarization transfer method is highlighted and, therefore, the Super Bigbite Program at JLab is introduced. - In chapter 2 the experimental apparatus of the SBS project is described, focusing on the main components of the spectrometers involved; the Super Bigbite Spectrometer for the hadron arm and the BigBite spectrometer for the electron arm. - Chapter 3 describes the SBS/BB front tracker and the motivation on the GEM technology choice. In addition, the main features and advantages of the technology used are also described. - Chapter 4 describes the commissioning of the GEM trackers at JLab. The whole iter of the GEM modules is presented, from the assembly in clean-room to the characterization tests with cosmic rays performed at JLab. - In chapter 5 a new method of analyzing the signals extracted from the strips of GEM modules is introduced. This study goal is the real-time suppression of noisy data by mean of innovative A.I. techniques.

Re, Leonard Giuseppe↗

DOE Cold Climate Heat Pump Challenge Field Validation: Data Collection and Analysis Plan

This document details the data collection, storage, and analysis plan and methodologies for conducting the field validation portion of DOE’s Cold Climate Heat Pump (CCHP) Challenge. The study is focused on validating the in-field heating performance of prototypical CCHPs that have successfully demonstrated that they meet or exceed the Challenge specification in a laboratory setting. The units that have passed laboratory testing will be installed in real homes along with sensors and loggers for monitoring performance over an entire heating season. Data collected through monitoring will be cleaned and stored in a secure database. The data will be analyzed for calculating the key metrics defined by the Challenge including heating capacities at low outdoor air temperatures (below 32 °F), efficiency in terms of the Coefficient of Performance (COP), switchover temperatures and auxiliary heat staging. Demand Response (DR) capabilities will also be tested using specially designed DR events. In most cases, shoulder season and cooling season performance will also be determined and reported.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Low Ohmic contact resistance and high on/off ratio in transition metal dichalcogenides field-effect transistors via residue-free transfer

Beyond-silicon technology demands ultrahigh performance field-effect transistors. Transition metal dichalcogenides provide an ideal material platform, but the device performances such as the contact resistance, on/off ratio and mobility are often limited by the presence of interfacial residues caused by transfer procedures. Here, we show an ideal residue-free transfer approach using polypropylene carbonate with a negligible residue coverage of ~0.08% for monolayer MoS 2 at the centimetre scale. By incorporating a bismuth semimetal contact with an atomically clean monolayer MoS 2 field-effect transistor on hexagonal boron nitride substrate, we obtain an ultralow Ohmic contact resistance of ~78 Ω µm, approaching the quantum limit, and a record-high on/off ratio of ~10 11 at 15 K. Further, such an ultra-clean fabrication approach could be the ideal platform for high-performance electrical devices using large-area semiconducting transition metal dichalcogenides.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Correlation of Fabrication Methods and Enhanced Wear Performance in Nanoporous Anodic Aluminum Oxide with Incorporated Molybdenum Disulfide (MoS 2 ) Nanomaterials

Wear performance is integral to component longevity, minimizing industrial waste and excess energy costs in a wide variety of applications. Anodized aluminum oxide (AAO) has many beneficial properties leading to its wide use across industries as a surface treatment for many aluminum components, but the wear properties of the coating could be improved significantly. Here, we used an electrochemical method to incorporate molybdenum disulfide (MoS 2 ), a nanomaterial used as a dry lubricant, to modify alloys of aluminum during AAO preparation. Using Raman spectroscopy and tribological scratch measurements, we thoroughly characterized the structure and wear behavior of the films. The MoS 2 deposition procedure was optimal on aluminum 5052 anodized in higher acid concentrations, with friction coefficients at around 0.05 (~10× better than unmodified AAO). Changing anodization conditions to produce harder films with smaller pores led to worsened wear properties, likely because of lower MoS 2 content. Studying a commercial MoS 2 /AAO film of a different Al alloy (7075) showed that a heat treatment step intended to fully convert all deposited MoS x species to MoS 2 can adversely affect wear in some alloys. While Al 6061 and 1100 produced films with worse wear performance compared to Al 5052 or 7075, our results show evidence that acid cleaning after initial anodization likely removes residual alloying elements, affecting MoS 2 incorporation. This study demonstrates a nanomaterial modified AAO film with superior wear characteristics to unmodified AAO and relates fabrication procedure, film structure, and practical performance.

36 MATERIALS SCIENCE↗

Segmentation of Deposition Periods: An Opportunity to Improve PV Soiling Extraction

Soiling profiles are commonly assumed to have sawtooth shapes, made of alternating cleaning events and soiling deposition periods. The rates at which soiling deposit on the PV modules are considered to be constant for each period. In reality, events such as changes in climatic conditions can lead to a sudden variation in soiling deposition rate. These changes cannot be reproduced if cleanings are the only events modelled to extract soiling profiles directly from PV performance data. For this reason, in this work, the use of change points and segmented regression is proposed to improve the extraction of soiling profiles through the model of up to two deposition rates per period in between cleanings. The results show that the quality of soiling extraction can be enhanced compared to a cleanings-only identification approach if both cleanings and change points are considered.

monitoring↗

Chemical treatment effects on Schottky contacts to metalorganic chemical vapor deposited n-type N-polar GaN

In this article, we investigate the effect of different chemical treatments, such as solvents, bases, and acids, on the surface properties and electrical behavior of Schottky diodes fabricated on metalorganic chemical vapor deposition-grown, n-type, N-polar GaN. The I–V and C–V barrier heights of the as-grown Schottky diodes are found to be 0.40 eV and 0.60 eV, respectively, with an ideality factor n = 1.07. It is found that the solvent treatments neither change the surface nor the electrical performance of the Schottky diodes, as expected. However, the treatments by the alkaline photolithography developer and acid—the latter of which is often used to clean the surface of Ga-polar GaN films prior to metal contact deposition—degrade the performance of N-polar GaN. These base and acid treatments severely roughen the surface by creating triangular/hexagonal crystallographic facets. The I–V and C–V barrier heights of these base- and acid-treated diodes are increased to 0.63 eV and 1.00 eV, respectively, with ideality factor values n < 1.2. X-ray photoelectron spectroscopy studies indicate that base- and acid-treated surfaces have lower oxygen content as compared to the as-grown sample surface. It is understood that the increment in the barrier height for base- and acid-treated diodes could be due to the change in polarity, from N-polar to semi-polar/non-polar, on these crystallographic features. All these results demonstrate that, unlike for Ga-polar GaN, the N-polar GaN surface is highly reactive to bases and acids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Harvesting Subsea Water Motion to Provide Clean Electrical Power

This TEAMER project had three main objectives related to characterizing the performance of a vortex-induced vibration (VIV) marine energy harvesting device called the Whatever Input To Torsion (WITT). The first was to characterize the motion of the WITT device as it vibrates on top of a pipe in a natural tidal flow. The second was to measure how much electricity the WITT device generates when it is deployed on top of a pipe that is secured to the seabed with a lander. The third objective was to measure how much electricity the WITT device generates in the same configuration but with a longer pipe. This TEAMER project succeeded in satisfying the first objective by measuring the motion of the WITT device with an inertial measurement unit (IMU) mounted in the WITT housing. The motion was described by examining changes in the acceleration, pitch, roll, and yaw, and displacement. The frequency of the motion was characterized using spectral analysis. The TEAMER project succeeded in reaching the second objective by measuring the power produced by the WITT. It is reported here as the average and maximum power in hourly intervals. WITT Energy decided to not have us pursue the third objective of testing a longer pipe because the first test was unexpectedly successful at having the system vibrate at the target frequency. A longer pipe would have resulted in a decreased frequency and therefore not have been a useful test. Based on these findings, the decision was made to keep the same pipe length for both tests and improve on other aspects of the test structure that had failed during the first test. The key finding of this TEAMER project is that the WITT is capable of generating electricity in moderate flow speeds when it is in a housing that is attached to a 2.5 m pipe and secured to the seabed by a lander. This report contains the first power values for a VIV instrument that generates electricity from a pendulum swinging at the top of a long pipe. The experiment demonstrated that the vibration frequency of the device varied with the tidal current speed, which changed throughout a given tidal cycle. This meant that the desired peak frequency was not sustained for more than one hour. The success of this TEAMER test provides evidence that continued research in the area of electricity generation from VIV holds promise as a source of marine energy for offshore applications. Future tests should focus on refining the pipe length equations and improving the power take off system of the WITT power electronics. In addition, experiments aimed at expanded testing and evaluation (e.g. longer than one month) are needed to measure the power production at higher tidal current speeds and test the system's durability.

Branch, Ruth A. (ORCID:0000000202356719)↗

High-Accuracy Angle Generator for Angular Calibrations to Support Optical Metrology Laboratories and Light Source Facilities

The overarching vision for this project was to build the most accurate full-rotation angular positioning system in the Americas, and that goal remains. In labs performing similar work, the environment is typically closer to a clean room than an office space, like we had before the upgrades. We are now positioned to achieve our intended result with our upgraded infrastructure, system hardware, calibration techniques, and software. As detailed below, the combination of the pandemic schedule and technical challenges have set us back, but we will continue on the path toward our vision beyond the end of this Phase 2. It’s too important for us, for industry, and for the nation not to do so.

47 OTHER INSTRUMENTATION↗

Monolayer organic thin films as particle-contamination–resistant coatings

Abstract Three organic monolayers coatings were developed and tested for their effectiveness to increase cleaning efficiency of attached microscale particles by air flows. The experiments were performed using silica substrates coated with these organic thin films and subsequently exposed to stainless-steel and silica microparticles as a model of contamination. Laser-induced–damage tests confirmed that the coatings do not affect the laser-induced–damage threshold values. The particle exposure results suggest that although the accumulation of particles is not significantly affected under the experimental conditions used in this work, the coated substrates exhibit significantly improved cleaning efficiency with a gas flow. A size-distribution analysis was conducted to study the adsorption and cleaning efficiency of particles of different sizes. It was observed that larger size (> 5-μm) particles can be removed from coated substrates with almost 100% efficiency. It was also determined that the coatings improve the cleaning efficiency of the smaller particles (≤ 5 μm) by 17% to 30% for the stainless steel metal and 19% to 38% for the silica particles.

36 MATERIALS SCIENCE↗