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At least 181 records · Page 10

Assessment of the frequency and nature of erroneous x-ray photoelectron spectroscopy analyses in the scientific literature

Here, this study was undertaken to understand the extent and nature of problems in x-ray photoelectron spectroscopy (XPS) data reported in the literature. It first presents an assessment of the XPS data in three high-quality journals over a six-month period. This analysis of 409 publications showing XPS spectra provides insight into how XPS is being used, identifies the common mistakes or errors in XPS analysis, and reveals which elements are most commonly analyzed. More than 65% of the 409 papers showed fitting of XP spectra. An ad hoc group (herein identified as “the committee”) of experienced XPS analysts reviewed these spectra and found that peak fitting was a common source of significant errors. The papers were ranked based on the perceived seriousness of the errors, which ranged from minor to major. Major errors, which, in the opinion of the ad hoc committee, can render the interpretation of the data meaningless, occurred when fitting protocols ignored underlying physics and chemistry or contained major errors in the analysis. Consistent with other materials analysis data, ca. 30% of the XPS data or analysis was identified as having major errors. Out of the publications with fitted spectra, ca. 40% had major errors. The most common elements analyzed by XPS in the papers sampled and researched at an online database, include carbon, oxygen, nitrogen, sulfur, and titanium. A scrutiny of the papers showing carbon and oxygen XPS spectra revealed the classes of materials being studied and the extent of problems in these analyses. As might be expected, C 1s and O 1s analyses are most often performed on sp2-type materials and inorganic oxides, respectively. These findings have helped focus a series of XPS guides and tutorials that deal with common analysis issues. The extent of problematic data is larger than the authors had expected. Quantification of the problem, examination of some of the common problem areas, and the development of targeted guides and tutorials may provide both the motivation and resources that enable the community to improve the overall quality and reliability of XPS analysis reported in the literature.

Major, George H.↗

(Invited) Modeling Electrolyzers: Exploring the Applied Voltage Breakdown

To commercialize successfully polymer-electrolyte electrolyzers and optimize their performance, one requires a detailed understanding of the underlying physics and phenomena. Mathematical modeling is ideally suited to explore such intricacies. In this Tutorial, the modeling equations and approaches towards both proton- and hydroxide-conducting polymer electrolyzers will be detailed. This includes the introduction of the applied voltage breakdown that separates the overall polarization curve into its constitutive parts such that the limiting mechanisms can be ascertained. Throughout, different case studies will be explored including impacts of bubble generation, liquid versus vapor feed, and pH changes due to carbonate and hydroxide solution feeds. A key focus of the Tutorial will be in exploring and describing the various transport and competing phenomena within the electrolyzer cell.

42 ENGINEERING↗

PARETO 0.8.0 Release

PARETO 0.8.0 Release. Highlights: Model Updates - Applied unified sets for pipeline and trucking arcs in strategic model - Apply unified sets for pipeline and trucking arcs in operational model - Added new config argument for removal efficiency calculation method - Standardized bidirectional capacity constraint - Added dependencies removed in IDAES 2.1 - Created bounding functions & utilities - Added Hydraulics module to the strategic model - Add additional arc types to strategic model Documentation and Tutorial Updates - Improved PARETO treatment document - Introduced general tutorial and treatment module Jupyter notebooks for Strategic Model - Update docs with correct support email list address - Consolidate and deduplicate Getting Started and resources for developers - Enable Black formatting for Jupyter notebooks - Add Binder configuration files and README Bug Fixes - Fix strategic model documentation typos - Removed duplicated units from output file header UI Updates - Added view for comparing different scenarios - Added functionality for manually overriding PARETO decisions

PARETO,PARETO-UI,PSE,Process Systems Engineering,P↗

CCSI Toolset 3.17 Release

CCSI Toolset 3.17 Release Highlights A workaround was developed to allow complex Aspen Custom Modeler (ACM) models to be used in FOQUS. This workaround uses Visual Basic for Applications to connect the ACM models to FOQUS. The ability for User plugins to be uploaded to FOQUS Cloud was added. The documentation was updated to include Optional Software Install and Tutorial Notes to clarify the usage of Turbine and SimSinter in installation instructions and adds a link to the relevant tutorial page. The Sequential Design of Experiments documentation was updated with current screenshots. The copyright was updated to include 2023.

AS↗

Advanced User Interface Capabilities [Slides]

This tutorial will review the data plotting and geometry visualization capabilities in the Fulcrum user interface. This tutorial will help you become familiar with Fulcrum’s 2D plot, and 2D and 3D geometry visualization features. You will learn how to identify plottable data items, compose and export plot and plot data for SCALE plot formats (SDF, Ampx MG/CE, PLT, F71, PTP, SPF, ORIGEN Gamma data, etc.) and visualize, navigate, cut, hide, and export the geometry and spatial data (fission-, dose-map, etc.) overlays in 2D and 3D. No prior experience with SCALE is required. Attendees can follow along using 6.3.0-beta.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Cyber-Physical System: Design for Sustainability and Resilience

When considering the design tools needed in the transition from numeric models to pilot plant, cyber-physical systems (CPS) come to the forefront as a method to model complex integrated energy systems. CPS approach has proven to be valuable to identify opportunities for economically viable early adoption of integrated energy technologies. This tutorial will introduce the concepts and the roles of CPS in co-design to minimize risks for pilot plant and technology deployment. This tutorial will also layout basic requirements for the CPS development, which requires a highly interdisciplinary effort with expertise in sensors, hardware testing, real-time modeling, controls, and system integration.

Harun, Nor Farida↗

Even Higher-Level Synthesis: An Exploration of AI Hardware Accelerators using HLS4ML

With the rise of artificial intelligence, the popularization of deep learning, and a constantly evolving industry, the demand for flexible and efficient tools has never been greater. As algorithms grow more complex, their runtime and energy consumption increase exponentially. Customized hardware accelerators, long used for specific mathematical operations, remain essential for managing modern applications' computational and power demands. Hardware accelerators can speed up complex computations by orders of magnitude, but their manual design and verification processes are often challenging and time-consuming. High-Level Synthesis (HLS) provides a solution by transforming high-level algorithm descriptions, typically written in C++ or SystemC, into synthesizable RTL suitable for hardware implementation. This approach reduces development time for RTL engineers while offering flexibility beyond what traditional handwritten RTL can provide. We extended this capability to the machine-learning domain with the open-source framework hls4ml, which allows neural networks trained in Python frameworks like Tensorflow or PyTorch to be synthesized into efficient hardware representations for the traditional FPGA and ASIC flows. This breakthrough addresses the growing need for reduced design turnaround and easy verification of ML hardware accelerators with low latency and power efficiency constraints. During this tutorial, we will demonstrate how Python complements HLS by simplifying the ML design process, bridging the gap between software and hardware development. Attendees will explore how we translate neural networks modeled in Python into fixed-point C++ models suitable for HLS workflows. We will dive into strategies like Value-Range Analysis and Quantization-Aware Training, which optimize these designs for deployment and evaluate their accuracy, power consumption, and energy efficiency. To exemplify these concepts, experts from Fermilab will share their experiences applying this technology to high-energy physics experiments, where real-time, low-latency processing is critical. Over the years, Fermilab engineers have demonstrated how deep neural networks, optimized for hardware using hls4ml, can meet the stringent requirements of trigger systems at the CERN Large Hadron Collider. These systems rely on rapid decision-making to process immense data volumes while retaining only the most relevant events for further analysis. The application of hls4ml has also been extended to innovative technologies like smart pixel arrays. These smart pixels integrate ML inference capabilities directly into sensor devices, enabling localized data processing at the pixel level. This approach drastically reduces the need to transmit raw data to external processing units, significantly decreasing power consumption and latency. By embedding neural networks within the pixel architecture, the smart pixels can identify and prioritize relevant data in real time, providing a highly efficient solution for edge computing in scenarios such as particle detectors and imaging systems. Fermilab's work highlights the potential of hardware-accelerated ML in scenarios where both speed and power efficiency are mission-critical. Through this tutorial, attendees will gain valuable insights into the challenges and solutions of deploying ML in hardware. Understanding how HLS and hls4ml streamline the development of neural network-based hardware accelerators is fundamental for the industry's future. Participants will learn how these technologies are shaping the future of AI and scientific computing.

Di Guglielmo, Giuseppe [Fermilab]↗

How to Model Batteries (with PV, Stand-Alone, or Hybrids) in SAM and PySAM

This tutorial will be a deep dive into considerations for battery modeling and demonstrating how to model them in SAM, including battery chemistry, thermal modeling, degradation/lifetime, dispatch, interconnection limits and curtailment, and their associated impacts on project profits and battery lifetime. By the end of the tutorial attendees will know how to size and model both behind-the-meter and front-of-meter battery systems, including financial analysis and pairing with other PV models (including pvlib) via PySAM.

25 ENERGY STORAGE↗

Using FIPD and OPTD to Benchmark Metallic Fuel Performance

This report serves as an introduction, tutorial, and benchmark specification for out-of-pile tests on metallic fuel. It introduces a new user to the EBR-II legacy fuel performance test program and the fast reactor fuel performance databases built to preserve the records. It then details the information stored in each database and how to find it. A benchmark specification is included for a small set of out-of-pile tests on U-10Zr fuel to function as a tutorial demonstrating how the legacy fuel performance data sets stored in the FIPD and OPTD databases can be used together to benchmark fuel performance models for steady-state and transient performance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

PowerAmerica (Final Technical Report)

The U.S. Department of Energy’s Advanced Manufacturing Office (predecessor to AMMTO) established PowerAmerica in December 2014 to develop and accelerate the adoption of wide bandgap (WBG) semiconductor chips and power electronics in manufacturing. The objective was to spark early commercialization of energy efficient products; educate and train the workforce; create high-tech jobs; and nurture the growth of the U.S. WBG semiconductor manufacturing industry. PowerAmerica isled by North Carolina State University by way of a five-year, $140M cooperative agreement with DoE. This private-public partnership with DoE includes member companies ranging from startups and small-medium enterprises to large system integrators, world-class universities, and national labs. The WBG power electronic ecosystem formed by our diverse membership is focused on using advanced manufacturing to 1) lower the cost of silicon carbide and gallium nitride semiconductor devices to be comparable to silicon devices; 2) demonstrate the system benefits and energy efficiency advantages of WBG semiconductor power electronics through system demonstrations that validate their effectiveness; and 3) build an education pipeline for a skilled workforce to meet the future demand for emerging WBG semiconductor markets — and enhance U.S. economic competitiveness globally. PowerAmerica was initially funded in six budget periods, each lasting 12 to 18 months. By the end of Budget Period 6 (August 2023), PowerAmerica had achieved its major objectives in technology development, semiconductor device cost reduction, ecosystem growth and engagement, and education and workforce development. Through strategic foundry investments, we helped to establish the first U.S. SiC foundry (X-FAB) and supported a lab (Microchip) to start SiC volume production. We’ve helped bring together companies from different parts of the supply chain, resulting in several successful new partnerships and business relationships. Through projects with some of the largest manufacturers of energy-intensive equipment in the U.S. — John Deere, GE, United Technologies, Raytheon, Carrier, Toshiba, and others — we have successfully demonstrated the energy and system benefits of WBG technology. We have also harnessed the unique capabilities and facilities of national labs — the Naval Research Laboratory, National Renewable Energy Laboratory, and Argonne National Laboratory — to help solve challenging technical problems for industry. Thanks to our many webinars, tutorials, annual events, and presence at major energy and electronics conferences around the world, the PowerAmerica name has become synonymous with WBG technology advancement. The commercial interest in WBG technology is higher than ever; companies and governments around the world have announced hundreds of millions of dollarsin future investment to build capacity — and compete with silicon in many markets and applications. We have trained hundreds of engineering students, from universities across the U.S., through hands-on projects and WBG coursework. Working professionals have also benefited through the years from our many targeted short courses, tutorials, and technical webinars. In short, PowerAmerica has made great strides in each of our key objectives, and the organization has been operating without government or NC State

14 SOLAR ENERGY↗

Time-Varying Feedback Optimization for Quadratic Programs with Heterogeneous Gradient Step Sizes

Online feedback-based optimization has become a promising framework for real-time optimization and control of complex engineering systems. This tutorial paper surveys the recent advances in the field as well as provides novel convergence results for primal-dual online algorithms with heterogeneous step sizes for different elements of the gradient. The analysis is performed for quadratic programs and the approach is illustrated on applications for adaptive step-size and model-free online algorithms, in the context of optimal control of modern power systems.

gradient methods↗

Simulating the Autonomous Future: A Look at Virtual Vehicle Environments and How to Validate Simulation Using Public Data Sets

The rapid evolution of autonomous vehicles (AVs) has exposed the need for fast-paced development and testing processes of a variety of perception, planning, and control algorithms. To expedite development, the AV industry and researchers leverage virtual vehicle environments to simulate a range of test scenarios that may otherwise be costly or difficult to conduct on a real test track. However, the various virtual environments may have different results depending on the fidelity of various simulation features, such as vehicle dynamics, sensor simulation, and environment recreation. Herein, this tutorial article examines a proposed framework for constructing, parameterizing, and validating a virtual vehicle environment using an existing AV data set. First, an overview of several open source and commercially available simulation tools, including their associated workflows, for scene and scenario creation is presented. Next, various open AV data sets are examined to inform the data set selection for the validation framework. Then, an example workflow of recreating a real-world scene from the selected data set in a simulation tool with various emulated sensors parameterized to match the data set is demonstrated. Finally, an example AV-perception algorithm is subjected to data streams from virtual and real-world environments and suggested metrics for analyzing the results are discussed.

42 ENGINEERING↗

PDV Inspection and Analysis Demonstration: 2024 PDV Workshop

This document walks a user through a demonstration of working with PDV digitizer data using python. This demonstration and included suggested exercises will be used at the 2024 PDV workshop hands-on session as an example and skill-development training session. The tutorial allows the user to generate synthetic but realistic PDV waveform data and visualize/inspect the results using spectrograms and waveform viewing tools.

97 MATHEMATICS AND COMPUTING↗

Optimizing Repowering and Lifecycle Decisions with PV ICE and SAM

Should you repower or extend the life of your PV system? Are high-efficiency modules, durable modules, or recyclable modules the best option for your site and goals? Evaluating the trade-offs in design and lifecycle strategies can be complex. The PV in Circular Economy (PV ICE) tool is an open-source model designed to help developers, modelers, and decision-makers assess material flows, energy return on investment (EROI), and financial viability of PV systems. Now integrated with the System Advisor Model (SAM), PV ICE enables site-specific comparisons of lifecycle strategies - such as repowering benefits, module selection for reliability and recyclability, among others. This interactive tutorial will provide hands-on experience with PV ICE using Google Collab, exploring scenario-based analyses on these topics.

36 MATERIALS SCIENCE↗

Agrivoltaics: Unlocking the Potential of Dual Land Use

This tutorial will delve into the practical and technical considerations for agrivoltaic systems, including crop selection, agricultural practices, and solar energy optimization. Leveraging insights from successful case studies, we'll address challenges such as policy barriers and regulatory gaps while exploring opportunities and incentives for implementation. With a focus on PV expertise, attendees will gain actionable knowledge on designing and evaluating dual-use systems that balance energy generation with agricultural productivity.

14 SOLAR ENERGY↗

Experimental Considerations for Estimating Degradation in PV Modules

Carefully controlled laboratory experiments and measurements can enable the determination of acceleration factors suitable for extrapolation to durability and performance of a fielded PV module. Ideally, a single mechanism can be identified with appropriate acceleration factors for extrapolation to the field. However, even with a single mechanism, the inherent uncertainty in these factors leads to uncertainty in the extrapolation which is greater the higher the acceleration factor. This course will explain how because of the wide range of acceleration factors for a given degradation mode, utilizing acceleration factors greater than about 10x will typically lead to unacceptable uncertainty in the results. Therefore, if even just a rank ordering of materials is desired, acceleration factors must be minimized which requires a good general understanding of the scale of the different acceleration factors for the degradation mode of interest. In this tutorial we will discuss what the different purposes are for many of the accelerated stress tests used today. E.g., what is a qualification test, a highly accelerated stress test, a rank ordering test, or a service life prediction test. We will discuss how one can understand the relationship between test results and expected field performance. A single accelerated stress test condition cannot duplicate outdoor exposure for all possible degradation pathways; therefore, one must use targeted evaluation of material properties at different stress levels to determine the relevant acceleration factors and fit it to a model. We will also discuss how to interpret the results of experiments understanding what is relevant/not relevant, or not e valuated in a test. There are many common error people make in their test interpretations because they push the stress levels to be too harsh. This creates biases and can mask the relevant failure modes and mechanisms or will erroneously lead one to over design materials against things that aren't relevant. Several case studies will be presented to illustrate appropriate interpretation of accelerated stress testing results.

degradation↗

Chemical Interpretation of Charged Point Defects in Semiconductors: A Case Study of Mg 2 Si

The electronic structures of charged point defects influence electrical and optical properties of semiconductors. Understanding the orbital interactions responsible for the electronic structures of defects therefore promotes a chemical intuition for defect-driven mechanisms in semiconductors. In this tutorial, we discuss a molecular orbital theory-based framework for understanding defect-induced electronic states based on local chemical interactions between the defect and the atoms surrounding the defect site. By using Mg 2 Si as a case study, we show how both the chemical interactions and molecular orbitals (i. e., wave functions) responsible for the charge state(s) of a defect can be understood from the bonding symmetry of the defect site. We anticipate that a chemistry-based perspective of charged defects will enrich defect engineering efforts for electronic and optical materials.

36 MATERIALS SCIENCE↗