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At least 415 records · Page 23

Evolving efforts to maintain and improve XPS analysis quality in an era of increasingly diverse uses and users

Based on literature analysis, X-ray photoelectron spectroscopy (XPS) use continues to increase exponentially. This increased use is accompanied by anecdotal reports and systematic analyses indicating a growing presence of significantly flawed data analyses. Recognition of this problem within the surface analysis community has increased with an understanding that both inexperienced users and increased use of XPS outside the surface analysis community contribute to the problem. The XPS community has initiated several efforts to help address the problem, which is not unique to XPS. This paper describes some of the specific problems identified and some of the community efforts intended to address them. Here, we describe activities focused on three specific issues: (i) requests for detailed guides and protocols and bite-sized versions of information for non-experts, (ii) incomplete data and analysis reporting, and (iii) the high rate of peak fitting problems. A 2019 survey identified the need for guides, protocols, and standards to assist XPS users. One set of such guides has been published, and another is being assembled. Providing incremental bites of useful information is the goal of a series of papers on specific challenges to surface analysis with example solutions has been initiated as Notes and Insights papers in Surface and Interface Analysis. Examination of XPS-containing papers finds that information to establish the credibility and reproducibility of XPS results is often very incomplete. Unfortunately, ISO and ASTM standards require an amount of parameter reporting that seems excessive and unrealistic for many research publications. Initial approaches to develop and distribute a graded approach to parameter reporting are briefly described. Multiple efforts are underway to address the high rate of problems associated with photoelectron peak fitting. These include guides to peak fitting, guides to peak identification and fitting for specific elements, and the development of a peak fitting social network. The fitting social network is designed to facilitate interactions between new and experienced XPS users; analysts trying to fit XPS data (for publication or other reasons) can ask questions and establish dynamic conversations. Encouraging and enabling high-quality XPS analysis and reporting requires several different types of effort from all members of the surface and interface analysis community.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Solar plus: A review of the end-user economics of solar PV integration with storage and load control in residential buildings

Batteries and load control devices can increase the value of distributed solar photovoltaics (PV) from multiple perspectives - end-user, utility, and social. This review paper summarizes the end-user economics of battery and load control technologies that increase the value of PV by controlling and temporally shifting PV output, an approach referred to as 'solar plus.' Solar plus can increase on-site PV use. The literature shows that these values justify the incremental costs of solar plus devices for a wide variety of technologies, geographies, and customer load profiles, especially for customers in three rate structure contexts: where PV is sold to the grid at a lower value than the customer's retail rate, in time-of-use rates where peak periods do not coincide with PV output, and in demand charge rates where load peaks do not coincide with PV output. Rate structure and policy reform may be necessary to ensure that increasing solar plus deployment provides both end-user and system-level benefits.

14 SOLAR ENERGY↗

A software for managing after-hours activities in research user facilities

Here, we present an afterhours activity management program for shared facilities, which handles the processes required for afterhours access (request, approval, extension, etc.). It implements the concept of permitted afterhours activities, which consists of a list of well-defined activities that each user can perform afterhours. The program provides an easy and unambiguous way for users to know which activities they are allowed to perform afterhours. In addition, the program can enhance its safety efficacy by interacting with lab and instrument access control systems commonly present in user facilities.

99 GENERAL AND MISCELLANEOUS↗

Nanopolysaccharide Builder: A User-Friendly Tool for Atomistic Models of Polysaccharide-Based Nanostructures

Here, we introduce Nanopolysaccharide Builder (NPB), a user-friendly software tool designed to construct polysaccharide nanostructures─mainly those based on cellulose, chitin, and chitosan─using experimental data or user-defined parameters. NPB enables the generation of cellulose and chitin allomorphs with customizable biochemical topologies and also facilitates the construction of large bundles that replicate nanostructures found in biological support systems, including plant cell walls and arthropod cuticles. The software outputs atomic Cartesian coordinates in Protein Data Bank (PDB) format and also provides atom connectivity files in PSF and PARM formats, ensuring seamless integration with major molecular dynamics (MD) engines such as NAMD, CHARMM, GROMACS, AMBER, OpenMM, and LAMMPS. Built on an interactive visualization framework, NPB features a graphical user interface (GUI) and supports both macOS and Linux operating systems. By enabling detailed atomic-scale studies of polysaccharide evolution in extracellular matrices and cell walls of algae, bacteria, fungi, and plants, NPB is poised to advance AI-guided research in sustainable chemical development and biomass utilization.

Wan, Zhangmin [Univ. of British Columbia, Vancouve↗

Multi-year Content Analysis of User Facility Related Publications

Scientific user facilities provide resources and support that enable scientists to conduct experiments or simulations pertinent to their respective research. Consequently, it is critical to have an informed understanding of the impact and contributions that these facilities have on scientific discoveries. Leveraging insight into scientific publications that acknowledge the use of these facilities enables more informed decisions by facility management and sponsors in regard to policy, resource allocation, and influencing the direction of science as well as more effectively understand the impact of a scientific user facility. This work discusses preliminary results of mining scientific publications that utilized resources at the Oak Ridge Leadership Computing Facility (OLCF) at Oak Ridge National Laboratory (ORNL). These results show promise in identifying and leveraging multi-year trends and providing a higher resolution view of the impact that a scientific user facility may have on scientific discoveries.

Patton, Robert M↗

Incorporating energy storage and user experience in isolated microgrid dispatch using a multi-objective model

In order to coordinate multiple different scheduling objectives from the perspectives of economy, environment, and users, a practical multi-objective dynamic optimal dispatch model incorporating energy storage and user experience is proposed for isolated microgrids. In this model, besides microturbine units, energy storage is employed to provide spinning reserve services for microgirds; and furthermore, from the perspective of demand side management, a consumer satisfaction indicator is developed to measure the quality of user experience. A two-step solution methodology incorporating multi-objective optimisation and decision analysis is put forward to address this model. First, a powerful heuristic optimisation algorithm, called the -dominance based evolutionary algorithm, is used to find a well-distributed set of Pareto-optimal solutions of the problem. Thereby, the best compromise solutions are identified from the entire solutions with the use of decision analysis by integrating fuzzy C-means clustering and grey relation projection. The simulation results on the modified Oak Ridge National Laboratory Distributed Energy Control and Communication lab microgrid test system demonstrate the effectiveness of the proposed approach.

Li, Yang↗

Development of output user interface software to support analysis

Data processing software packages such as VSOP and MCNPX are softwares that has been scientifically proven and complete. The result of VSOP and MCNPX are huge and complex text files. In the analyze process, user need additional processing like Microsoft Excel to show informative result. This research develop an user interface software for output of VSOP and MCNPX. VSOP program output is used to support neutronic analysis and MCNPX program output is used to support burn-up analysis. Software development using iterative development methods which allow for revision and addition of features according to user needs. Processing time with this software 500 times faster than with conventional methods using Microsoft Excel. PYTHON is used as a programming language, because Python is available for all major operating systems: Windows, Linux/Unix, OS/2, Mac, Amiga, among others. Values that support neutronic analysis are k-eff, burn-up and mass Pu{sup 239} and Pu{sup 241}. Burn-up analysis used the mass inventory values of actinide (Thorium, Plutonium, Neptunium and Uranium). Values are visualized in graphical shape to support analysis.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

AsyncStageOut: Distributed User Data Management for CMS Analysis

AsyncStageOut (ASO) is a new component of the distributed data analysis system of CMS, CRAB, designed for managing users' data. It addresses a major weakness of the previous model, namely that mass storage of output data was part of the job execution resulting in inefficient use of job slots and an unacceptable failure rate at the end of the jobs. ASO foresees the management of up to 400k files per day of various sizes, spread worldwide across more than 60 sites. It must handle up to 1000 individual users per month, and work with minimal delay. This creates challenging requirements for system scalability, performance and monitoring. ASO uses FTS to schedule and execute the transfers between the storage elements of the source and destination sites. It has evolved from a limited prototype to a highly adaptable service, which manages and monitors the user file placement and bookkeeping. To ensure system scalability and data monitoring, it employs new technologies such as a NoSQL database and re-uses existing components of PhEDEx and the FTS Dashboard. We present the asynchronous stage-out strategy and the architecture of the solution we implemented to deal with those issues and challenges. The deployment model for the high availability and scalability of the service is discussed. The performance of the system during the commissioning and the first phase of production are also shown, along with results from simulations designed to explore the limits of scalability.

Riahi, H.↗

UMLS users and uses: a current overview

Abstract The US National Library of Medicine regularly collects summary data on direct use of Unified Medical Language System (UMLS) resources. The summary data sources include UMLS user registration data, required annual reports submitted by registered users, and statistics on downloads and application programming interface calls. In 2019, the National Library of Medicine analyzed the summary data on 2018 UMLS use. The library also conducted a scoping review of the literature to provide additional intelligence about the research uses of UMLS as input to a planned 2020 review of UMLS production methods and priorities. 5043 direct users of UMLS data and tools downloaded 4402 copies of the UMLS resources and issued 66 130 951 UMLS application programming interface requests in 2018. The annual reports and the scoping review results agree that the primary UMLS uses are to process and interpret text and facilitate mapping or linking between terminologies. These uses align with the original stated purpose of the UMLS.

Amos, Liz↗

ProteoSign: an end-user online differential proteomics statistical analysis platform

Profiling of proteome dynamics is crucial for understanding cellular behavior in response to intrinsic and extrinsic stimuli and maintenance of homeostasis. Over the last 20 years, mass spectrometry (MS) has emerged as the most powerful tool for large-scale identification and characterization of proteins. Bottom-up proteomics, the most common MS-based proteomics approach, has always been challenging in terms of data management, processing, analysis and visualization, with modern instruments capable of producing several gigabytes of data out of a single experiment. Here, we present ProteoSign, a freely available web application, dedicated in allowing users to perform proteomics differential expression/abundance analysis in a userfriendly and self-explanatory way. Although several non-commercial standalone tools have been developed for post-quantification statistical analysis of proteomics data, most of them are not end-user appealing as they often require very stringent installation of programming environments, third-party software packages and sometimes further scripting or computer programming. To avoid this bottleneck, we have developed a user-friendly software platform accessible via a web interface in order to enable proteomics laboratories and core facilities to statistically analyse quantitative proteomics data sets in a resource-efficient manner. ProteoSign is available at http://bioinformatics.med.uoc.gr/ProteoSign and the source code at https://github.com/yorgodillo/ ProteoSign.

59 BASIC BIOLOGICAL SCIENCES↗

Application of deep learning methods for beam size control during user operation at the Advanced Light Source

Past research at the Advanced Light Source (ALS) provided a proof-of-principle demonstration that deep learning methods could be effectively employed to compensate for the significant perturbations to the transverse electron beam size induced by user-controlled adjustments of the insertion devices. However, incorporating these methods into the ALS’ daily operations has faced notable challenges. The complexity of the system’s operational requirements and the significant upkeep demands has restricted their sustained application during user operation. Here, we introduce the development of a more robust neural network (NN)-based algorithm that utilizes a novel online fine-tuning approach and its systematic integration into the day-to-day machine operations. Our analysis emphasizes the process of NN model selection, demonstrates the superior performance of the NN-based method over traditional feedback methods, and examines the effectiveness and resilience of the new algorithm during user-operation scenarios. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗

TomoPyUI : a user-friendly tool for rapid tomography alignment and reconstruction

The management and processing of synchrotron and neutron computed tomography data can be a complex, labor-intensive and unstructured process. Users devote substantial time to both manually processing their data ( i.e. organizing data/metadata, applying image filters etc. ) and waiting for the computation of iterative alignment and reconstruction algorithms to finish. In this work, we present a solution to these problems: TomoPyUI , a user interface for the well known tomography data processing package TomoPy . This highly visual Python software package guides the user through the tomography processing pipeline from data import, preprocessing, alignment and finally to 3D volume reconstruction. The TomoPyUI systematic intermediate data and metadata storage system improves organization, and the inspection and manipulation tools (built within the application) help to avoid interrupted workflows. Notably, TomoPyUI operates entirely within a Jupyter environment. Herein, we provide a summary of these key features of TomoPyUI , along with an overview of the tomography processing pipeline, a discussion of the landscape of existing tomography processing software and the purpose of TomoPyUI , and a demonstration of its capabilities for real tomography data collected at SSRL beamline 6-2c.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A Collaborative Extensible User Environment for Simulation and Knowledge Management

In scientific simulation, scientists use measured data to create numerical models, execute simulations and analyze results from advanced simulators executing on high performance computing platforms. This process usually requires a team of scientists collaborating on data collection, model creation and analysis, and on authorship of publications and data. This paper shows that scientific teams can benefit from a user environment called Akuna that permits subsurface scientists in disparate locations to collaborate on numerical modeling and analysis projects. The Akuna user environment is built on the Velo framework that provides both a rich client environment for conducting and analyzing simulations and a Web environment for data sharing and annotation. Akuna is an extensible toolset that integrates with Velo, and is designed to support any type of simulator. This is achieved through data-driven user interface generation, use of a customizable knowledge management platform, and an extensible framework for simulation execution, monitoring and analysis. This paper describes how the customized Velo content management system and the Akuna toolset are used to integrate and enhance an effective collaborative research and application environment. The extensible architecture of Akuna is also described and demonstrates its usage for creation and execution of a 3D subsurface simulation.

collaborative science tools↗

Facile Integration of Robots into Experimental Orchestration at Scientific User Facilities

Integration of robots into scientific user facilities, such as the National Synchrotron Light Source II, improves their efficiency and capacity. Many such facilities use the opensource Bluesky project for experimental control and orchestration. However, there remains an open challenge in deploying robotic solutions at these facilities that are reconfigurable, extensible, and compatible with pre-existing software infrastructure. Herein, we introduce a framework that uses the Robotic Operating System 2 (ROS2) and Bluesky to provide extensible robotic applications, while working under the operational constraints of a large-scale user facility. We demonstrated this framework by integrating a robotic arm to pick and place a sample holder at a beamline, recording a 90% repeatability rate. This provides the groundwork for further new robotics applications at large-scale scientific user facilities that depend on Bluesky.

36 MATERIALS SCIENCE↗

EV Charging Algorithm Implementation with User Price Preference

in this paper, we propose and implement a smart Electric Vehicle (EV) charging algorithm to control the EV charging infrastructures according to users’ price preferences. EVSE (Electric Vehicle Supply Equipment), equipped with bidirectional communication devices and smart meters, can be remotely monitored by the proposed charging algorithm applied to EV control center and mobile app. On the server side, ARIMA model is utilized to fit historical charging load data and perform day-ahead prediction. A pricing strategy with energy bidding policy is proposed and implemented to generate a charging price list to be broadcasted to EV users through mobile app. On the user side, EV drivers can submit their price preferences and daily travel schedules to negotiate with Control Center to consume the expected energy and minimize charging cost simultaneously. The proposed algorithm is tested and validated through the experimental implementations in UCLA parking lots.

Wang, Bin↗

Assessment of User Home Location Geoinference Methods

This study presents an assessment of multiple approaches to determine the home and/or other important locations to a Twitter user. In this study, we present a unique approach to the problem of geotagged data sparsity in social media when performing geoinferencing tasks. Given the sparsity of explicitly geotagged Twitter data, the ability to perform accurate and reliable user geolocation from a limited number of geotagged posts has proven to be quite useful. In our survey, we have achieved accuracy rates of over 86% in matching Twitter user profile locations with their inferred home locations derived from geotagged posts.

Harrison, Joshua J.↗

SU-E-T-595: Design of a Graphical User Interface for An In-House Monte Carlo Based Treatment Planning System: Planning and Contouring Tools

Purpose: An in-house Monte Carlo based treatment planning system (MC TPS) has been developed for modulated electron radiation therapy (MERT). Our preliminary MERT planning experience called for a more user friendly graphical user interface. The current work aimed to design graphical windows and tools to facilitate the contouring and planning process. Methods: Our In-house GUI MC TPS is built on a set of EGS4 user codes namely MCPLAN and MCBEAM in addition to an in-house optimization code, which was named as MCOPTIM. Patient virtual phantom is constructed using the tomographic images in DICOM format exported from clinical treatment planning systems (TPS). Treatment target volumes and critical structures were usually contoured on clinical TPS and then sent as a structure set file. In our GUI program we developed a visualization tool to allow the planner to visualize the DICOM images and delineate the various structures. We implemented an option in our code for automatic contouring of the patient body and lungs. We also created an interface window displaying a three dimensional representation of the target and also showing a graphical representation of the treatment beams. Results: The new GUI features helped streamline the planning process. The implemented contouring option eliminated the need for performing this step on clinical TPS. The auto detection option for contouring the outer patient body and lungs was tested on patient CTs and it was shown to be accurate as compared to that of clinical TPS. The three dimensional representation of the target and the beams allows better selection of the gantry, collimator and couch angles. Conclusion: An in-house GUI program has been developed for more efficient MERT planning. The application of aiding tools implemented in the program is time saving and gives better control of the planning process.

60 APPLIED LIFE SCIENCES↗

TH-C-12A-12: Veritas: An Open Source Tool to Facilitate User Interaction with TrueBeam Developer Mode

Purpose: To address the challenges of creating delivery trajectories and imaging sequences with TrueBeam Developer Mode, a new open-source graphical XML builder, Veritas, has been developed, tested and made freely available. Veritas eliminates most of the need to understand the underlying schema and write XML scripts, by providing a graphical menu for each control point specifying the state of 30 mechanical/dose axes. All capabilities of Developer Mode are accessible in Veritas. Methods: Veritas was designed using QT Designer, a ‘what-you-is-what-you-get’ (WYSIWIG) tool for building graphical user interfaces (GUI). Different components of the GUI are integrated using QT's signals and slots mechanism. Functionalities are added using PySide, an open source, cross platform Python binding for the QT framework. The XML code generated is immediately visible, making it an interactive learning tool. A user starts from an anonymized DICOM file or XML example and introduces delivery modifications, or begins their experiment from scratch, then uses the GUI to modify control points as desired. The software automatically generates XML plans following the appropriate schema. Results: Veritas was tested by generating and delivering two XML plans at Brigham and Women's Hospital. The first example was created to irradiate the letter ‘B’ with a narrow MV beam using dynamic couch movements. The second was created to acquire 4D CBCT projections for four minutes. The delivery of the letter ‘B’ was observed using a 2D array of ionization chambers. Both deliveries were generated quickly in Veritas by non-expert Developer Mode users. Conclusion: We introduced a new open source tool Veritas for generating XML plans (delivery trajectories and imaging sequences). Veritas makes Developer Mode more accessible by reducing the learning curve for quick translation of research ideas into XML plans. Veritas is an open source initiative, creating the possibility for future developments and collaboration with other researchers. I am an employee of Varian Medical Systems.

07 ISOTOPE AND RADIATION SOURCES↗