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At least 37 records · Page 2

A Toolkit to Study Sensitivity of the Geant4 Predictions to the Variations of the Physics Model Parameters

Geant4 is the leading detector simulation toolkit used in high energy physics to design detectors and to optimize calibration and reconstruction software. It employs a set of carefully validated physics models to simulate interactions of particles with matter across a wide range of interaction energies. These models, especially the hadronic ones, rely largely on directly measured cross-sections and phenomenological predictions with physically motivated parameters estimated by theoretical calculation or measurement. Because these models are tuned to cover a very wide range of possible simulation tasks, they may not always be optimized for a given process or a given material. This raises several critical questions, e.g. how sensitive Geant4 predictions are to the variations of the model parameters, or what uncertainties are associated with a particular tune of a Geant4 physics model, or a group of models, or how to consistently derive guidance for Geant4 model development and improvement from a wide range of available experimental data. We have designed and implemented a comprehensive, modular, user-friendly software toolkit to study and address such questions. It allows one to easily modify parameters of one or several Geant4 physics models involved in the simulation, and to perform collective analysis of multiple variants of the resulting physics observables of interest and comparison against a variety of corresponding experimental data. Based on modern event-processing infrastructure software, the toolkit offers a variety of attractive features, e.g. flexible run-time configurable workflow, comprehensive bookkeeping, easy to expand collection of analytical components. Design, implementation technology, and key functionalities of the toolkit are presented and illustrated with results obtained with Geant4 key hadronic models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Software Toolkit to Study Systematic Uncertainties of the Physics Models of the Geant4 Simulation Package

The Geant4 simulation toolkit is used to model interactions between particles and matter. Geant4 employs a set of validated physics models that span a wide range of interaction energies. These models rely on measured cross-sections and phenomenological models with the physically motivated parameters that are tuned to cover many application domains. To study what uncertainties are associated with the Geant4 physics models we have designed and implemented a comprehensive, modular, user-friendly software toolkit that allows the variation of one or more parameters of one or more Geant4 physics models involved in simulation studies. It also enables analysis of multiple variants of the resulting physics observables of interest in order to estimate the uncertainties associated with the simulation model choices. Based on modern event-processing infrastructure software, the toolkit offers a variety of attractive features, e.g. exible run-time con gurable work ow, comprehensive bookkeeping, easy to expand collection of analytical components. Design, implementation technology, and key functionalities of the toolkit are presented in this paper and illustrated with selected results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Data for "RT-EZ: A Golden Gate Assembly Toolkit for Streamlined Genetic Engineering of Rhodotorula toruloides"

For economic and sustainable biomanufacturing, the oleaginous yeast Rhodotorula toruloides has emerged as a promising platform for producing biofuels, pharmaceuticals, and other valuable chemicals. However, genetic manipulation of R. toruloides has been limited by its high GC content and the lack of a replicating plasmid, necessitating gene integration into the genome of the yeast. To address these challenges, we developed the RT-EZ ( R. toruloides Efficient Zipper) toolkit, a versatile tool based on Golden Gate assembly, designed to streamline R. toruloides engineering with improved efficiency and flexibility. The RT-EZ toolkit simplifies vector construction by incorporating new features such as bidirectional promoters and 2A peptides, color-based screening using RFP, and sequences optimized for both Agrobacterium tumefaciens-mediated transformation (ATMT) and easy linearization, enabling straightforward selection and transformation. Notably, the RT-EZ kit can be used to construct an expression cassette with four different genes in one assembly reaction, significantly improving vector construction speed and efficiency. The utility of the RT-EZ toolkit was demonstrated through the successful synthesis of arachidonic acid in R. toruloides by coexpressing fatty acid elongases and desaturases. This result underscores the potential of the RT-EZ toolkit to advance synthetic biology in R. toruloides , providing a streamlined method for addressing genetic engineering challenges in the yeast.

gene editing↗

Application of the SHARP Toolkit to Sodium-Cooled Fast Reactor Challenge Problems

The Simulation-based High-efficiency Advanced Reactor Prototyping (SHARP) toolkit is under development by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Campaign of the U.S. Department of Energy, Office of Nuclear Energy. To better understand and exploit the benefits of advanced modeling simulations, the NEAMS Campaign initiated the “Sodium-Cooled Fast Reactor (SFR) Challenge Problems” task, which include the assessment of hot channel factors (HCFs) and the demonstration of zooming capability using the SHARP toolkit. If both challenge problems are resolved through advanced modeling and simulation using the SHARP toolkit, the economic competitiveness of a SFR can be significantly improved. The efforts in the first year of this project focused on the development of computational models, meshes, and coupling procedures for multi-physics calculations using the neutronics (PROTEUS) and thermal-hydraulic (Nek5000) components of the SHARP toolkit, as well as demonstration of the HCF calculation capability for the 100 MWe Advanced Fast Reactor (AFR-100) design. Testing the feasibility of the SHARP zooming capability is planned in FY 2018. The HCFs developed for the earlier SFRs (FFTF, CRBR, and EBR-II) were reviewed, and a subset of these were identified as potential candidates for reduction or elimination through high-fidelity simulations. A one-way offline coupling method was used to evaluate the HCFs where the neutronics solver PROTEUS computes the power profile based on an assumed temperature, and the computational fluid dynamics solver Nek5000 evaluates the peak temperatures using the neutronics power profile. If the initial temperature profile used in the neutronics calculation is reasonably accurate, the one-way offline method is valid because the neutronics power profile has weak dependence on small temperature variation. In order to get more precise results, the proper temperature profile for initial neutronics calculations was obtained from the STAR-CCM+ calculations. The HCFs of the peak temperatures at cladding outer surface, cladding inner wall surface, and fuel centerline induced by cladding manufacturing tolerance and uncertainties on the cladding, coolant, and fuel properties were evaluated for the AFR-100. Some assessment on the effect of wire wrap configuration and size of the bundle shows that it is practical to use the 7-pin bare rod bundle to calculate the HCFs. The resulting HCFs obtained from the high-fidelity SHARP calculations are generally smaller than those developed for the earlier SFRs because the most uncertainties involved in the modeling and simulations were disappeared. For completeness, additional investigations are planned in FY 2018, which will use random sampling techniques.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

US DOE Better Plants Program Energy Treasure Hunt Exchange Toolkit

The US Department of Energy’s (DOE’s) Better Buildings, Better Plants Program works with manufacturing companies to improve their facilities’ energy efficiency. By partnering with the program, companies commit to long-term energy efficiency goals, typically 25% energy savings in 10 years. The program provides technical support to help partners obtain their goals and recognizes partners’ outstanding achievements. One of the technical support offerings from the program is the Energy Treasure Hunt Exchange In-Plant Training. The Treasure Hunt Exchange is an adaptation of the Kaizen methodology for energy efficiency originally developed by Toyota. DOE developed the Energy Treasure Hunt Exchange Toolkit to facilitate program partners’ execution of the energy treasure hunt processes. The toolkit covers three phases of an energy treasure hunt for all major energy systems: pump systems, fan systems, process heating systems, process cooling systems, steam systems, compressed air systems, lighting systems, and motor systems. All the tools included in the toolkit can be downloaded from the DOE website. The purpose of this report is to provide Better Plants partners an overview of the toolkit and detailed descriptions of its capabilities.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

US Department of Energy Federal Energy Management Program Energy Treasure Hunt Toolkit

The US Department of Energy’s Federal Energy Management Program (FEMP) aims to assist federal agencies and their stakeholders with their energy-focused goals, opportunities, and barriers. The program offers various technical trainings and resources to its stakeholders. One of these resources is an energy treasure hunt program. This report presents the FEMP energy treasure hunt toolkit, a technical resource designed for systematic application for federal facilities seeking to optimize their energy and carbon usage. The toolkit was designed to help facilitate energy-focused kaizen events, identify energy-saving recommendations, analyze identified opportunities, and provide the tools needed to detect actionable projects to advance federal facilities. Through a collaboration with the Oak Ridge National Laboratory team that executed the industrial-focused Better Plants energy treasure hunt program, a similar treasure hunt toolkit was designed for FEMP. The purpose of this report is to provide an overview of the treasure hunt process and FEMP toolkit capabilities.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Heat Pump Retrofits for Central Plant Hydronic Heating Systems: A Software Toolkit for Screening and Design

Retrofitting existing central plants with high-efficiency heat pump technologies can play a crucial role in achieving long-term planning goals. Modern heat pump technologies are able to use waste heat recovery to meet a building's heating demand, but there is a lack of accessible tools designed for non-HVAC experts, such as building owners, to quickly and easily conduct what-if analysis, e.g., estimating retrofit costs and payback period for their partial or full equipment replacement. This paper introduces an open-source software toolkit designed to facilitate the initial screening and decision-making of heat pump retrofits in existing central plants using a building's yearly load profile from metered or utility bill data. The toolkit evaluates the technical and economic viability of replacing traditional central plant equipment with various options including water-to-water or air-to-water heat pumps, which can provide efficient and lower-cost heating and cooling. It allows users to compare current central plant configurations with retrofit scenarios, assessing energy consumption, life-cycle costs, and environmental impact. The toolkit offers (1) a web-based tool designed for user-friendly access by a broad audience and (2) Python-based source code for researchers and engineers conducting parametric studies and design parameter optimization. The toolkit compares a typical central plant configuration to a configuration that uses a heat pump to supply hydronic heating and cooling. The output metrics include energy consumption and output of each equipment, life-cycle cost analyses and metrics, and environmental impact of the system.

Excell, L↗

The Automatic Parallelisation of Scientific Application Codes Using a Computer Aided Parallelisation Toolkit

The shared-memory programming model is a very effective way to achieve parallelism on shared memory parallel computers. Historically, the lack of a programming standard for using directives and the rather limited performance due to scalability have affected the take-up of this programming model approach. Significant progress has been made in hardware and software technologies, as a result the performance of parallel programs with compiler directives has also made improvements. The introduction of an industrial standard for shared-memory programming with directives, OpenMP, has also addressed the issue of portability. In this study, we have extended the computer aided parallelization toolkit (developed at the University of Greenwich), to automatically generate OpenMP based parallel programs with nominal user assistance. We outline the way in which loop types are categorized and how efficient OpenMP directives can be defined and placed using the in-depth interprocedural analysis that is carried out by the toolkit. We also discuss the application of the toolkit on the NAS Parallel Benchmarks and a number of real-world application codes. This work not only demonstrates the great potential of using the toolkit to quickly parallelize serial programs but also the good performance achievable on up to 300 processors for hybrid message passing and directive-based parallelizations.

Ierotheou, C.↗

Charon Message-Passing Toolkit for Scientific Computations

The Charon toolkit for piecemeal development of high-efficiency parallel programs for scientific computing is described. The portable toolkit, callable from C and Fortran, provides flexible domain decompositions and high-level distributed constructs for easy translation of serial legacy code or design to distributed environments. Gradual tuning can subsequently be applied to obtain high performance, possibly by using explicit message passing. Charon also features general structured communications that support stencil-based computations with complex recurrences. Through the separation of partitioning and distribution, the toolkit can also be used for blocking of uni-processor code, and for debugging of parallel algorithms on serial machines. An elaborate review of recent parallelization aids is presented to highlight the need for a toolkit like Charon. Some performance results of parallelizing the NAS Parallel Benchmark SP program using Charon are given, showing good scalability.

VanderWijngaart, Rob F.↗

Charon Message-Passing Toolkit for Scientific Computations

The Charon toolkit for piecemeal development of high-efficiency parallel programs for scientific computing is described. The portable toolkit, callable from C and Fortran, provides flexible domain decompositions and high-level distributed constructs for easy translation of serial legacy code or design to distributed environments. Gradual tuning can subsequently be applied to obtain high performance, possibly by using explicit message passing. Charon also features general structured communications that support stencil-based computations with complex recurrences. Through the separation of partitioning and distribution, the toolkit can also be used for blocking of uni-processor code, and for debugging of parallel algorithms on serial machines. An elaborate review of recent parallelization aids is presented to highlight the need for a toolkit like Charon. Some performance results of parallelizing the NAS Parallel Benchmark SP program using Charon are given, showing good scalability. Some performance results of parallelizing the NAS Parallel Benchmark SP program using Charon are given, showing good scalability.

VanderWijngarrt, Rob F.↗

Development of an Integrated Human Factors Toolkit

An effective integration of human abilities and limitations is crucial to the success of all NASA missions. The Integrated Human Factors Toolkit facilitates this integration by assisting system designers and analysts to select the human factors tools that are most appropriate for the needs of each project. The HF Toolkit contains information about a broad variety of human factors tools addressing human requirements in the physical, information processing and human reliability domains. Analysis of each tool includes consideration of the most appropriate design stage, the amount of expertise in human factors that is required, the amount of experience with the tool and the target job tasks that are needed, and other factors that are critical for successful use of the tool. The benefits of the Toolkit include improved safety, reliability and effectiveness of NASA systems throughout the agency. This report outlines the initial stages of development for the Integrated Human Factors Toolkit.

Resnick, Marc L.↗

MIKA: Manager for Intelligent Knowledge Access Toolkit for Engineering Knowledge Discovery and Information Retrieval

Repositories of safety reports are often underutilized and only analyzed manually by trained experts, despite safety management systems requiring reports. These collections of documents contain a wealth of information from past projects and operations that could improve system safety and design. Advances in natural language processing techniques have improved information extraction and retrieval in consumer technology, biomedicine, and finance, for instance, but have not been applied to engineering documents on the same scale. To this end, the Manager for Intelligent Knowledge Access (MIKA) open-source toolkit has been developed for rapid knowledge discovery and information retrieval in safety engineering applications. The MIKA toolkit uses state-of-the-art natural language processing algorithms and allows a user to apply these methods to their own dataset. This paper describes the MIKA toolkit and its two primary capabilities, knowledge discovery and information retrieval, and demonstrates the toolkit via a case study on National Transportation Safety Board (NTSB) reports.

Machine Learning↗

MIKA: Manager for Intelligent Knowledge Access Toolkit for Engineering Knowledge Discovery and Information Retrieval

Repositories of safety reports are often underutilized and only analyzed manually by trained experts, despite safety management systems requiring reports. These collections of documents contain a wealth of information from past projects and operations that could improve system safety and design. Advances in natural language processing techniques have improved information extraction and retrieval in consumer technology, biomedicine, and finance, for instance, but have not been applied to engineering documents on the same scale. To this end, the Manager for Intelligent Knowledge Access (MIKA) open-source toolkit has been developed for rapid knowledge discovery and information retrieval in safety engineering applications. The MIKA toolkit uses state-of-the-art natural language processing algorithms and allows a user to apply these methods to their own dataset. This paper describes the MIKA toolkit and its two primary capabilities, knowledge discovery and information retrieval, and demonstrates the toolkit via a case study on National Transportation Safety Board (NTSB) reports.

Systems Engineering↗

The Liquid Argon Software Toolkit (LArSoft): Goals, Status and Plan

LArSoft is a toolkit that provides a software infrastructure and algorithms for the simulation, reconstruction and analysis of events in Liquid Argon Time Projection Chambers (LArTPCs). It is used by the ArgoNeuT, LArIAT, MicroBooNE, DUNE (including 35ton prototype and ProtoDUNE) and SBND experiments. The LArSoft collaboration provides an environment for the development, use, and sharing of code across experiments. The ultimate goal is to develop fully automatic processes for reconstruction and analysis of LArTPC events. The toolkit is based on the art framework and has a well-defined architecture to interface to other packages, including to GEANT4 and GENIE simulation software and the Pandora software development kit for pattern recognition. It is designed to facilitate and support the evolution of algorithms including their transition to new computing platforms. The development of the toolkit is driven by the scientific stakeholders involved. The core infrastructure includes standard definitions of types and constants, means to input experiment geometries as well as meta and event- data in several formats, and relevant general utilities. Examples of algorithms experiments have contributed to date are: photon-propagation; particle identification; hit finding, track finding and fitting; electromagnetic shower identification and reconstruction. We report on the status of the toolkit and plans for future work.

Pordes, Rush↗

Flexible and Scalable Data-Acquisition Using the artdaq Toolkit

The Real-Time Systems Engineering Department of the Scientific Computing Division at Fermilab is developing a flexible, scalable, and powerful data-acquisition (DAQ) toolkit which serves the needs of experiments from bench-top hardware tests to large high-energy physics experiments. The toolkit provides data transport and event building capabilities with the option for experimenters to inject art analysis code at key points in the DAQ for filtering or monitoring. The toolkit also provides configuration management, run control, and low-level hardware communication utilities. Firmware blocks for several commercial data acquisition boards are provided, allowing experimenters to approach the DAQ from a high level. A fully-functional DAQ "solution" of the toolkit is provided in otsdaq, sacrificing some flexibility in favor of being ready-to-use. artdaq is being used for several current and upcoming experiments, and will continue to be refined and expanded for use in the next generation of neutrino and muon experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

EDRIXS: An open source toolkit for simulating spectra of resonant inelastic x-ray scattering

Resonant inelastic x-ray scattering (RIXS) has become a very powerful experimental technique to probe a broad range of intrinsic elementary excitations, for example, from low energy phonons and (bi-)magnons to high energy d-d, charge-transfer and plasmon excitations in strongly correlated electronic systems. Due to the complexity of the RIXS cross-section and strong core-hole effects, theoretical simulation of the experimental RIXS spectra is still a difficult task which hampers the understanding of RIXS spectra and the development of the RIXS technique. In this work, we present an open source toolkit (dubbed EDRIXS) to facilitate the simulations of RIXS spectra of strongly correlated materials based on exact diagonalization (ED) of certain model Hamiltonians. The model Hamiltonian can be from a single atom, small cluster or Anderson impurity model, with model parameters from density functional theory plus Wannier90 or dynamical mean-field theory calculations. The spectra of x-ray absorption spectroscopy (XAS) and RIXS are then calculated using Krylov subspace techniques. This toolkit contains highly efficient ED, XAS and RIXS solvers written in modern Fortran 90 language and a convenient Python library used to prepare inputs and set up calculations. We first give a short introduction to RIXS spectroscopy, and then we discuss the implementation details of this toolkit. Lastly, we show three examples to demonstrate its usage.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A Cas9-based toolkit to program gene expression in Saccharomyces cerevisiae

Despite the extensive use of Saccharomyces cerevisiae as a platform for synthetic biology, strain engineering remains slow and laborious. Here, we employ CRISPR/Cas9 technology to build a cloning-free toolkit that addresses commonly encountered obstacles in metabolic engineering, including chromosomal integration locus and promoter selection, as well as protein localization and solubility. The toolkit includes 23 Cas9-sgRNA plasmids, 37 promoters of various strengths and temporal expression profiles, and 10 protein-localization, degradation and solubility tags. We facilitated the use of these parts via a web-based tool, that automates the generation of DNA fragments for integration. Our system builds upon existing gene editing methods in the thoroughness with which the parts are standardized and characterized, the types and number of parts available and the ease with which our methodology can be used to perform genetic edits in yeast. We demonstrated the applicability of this toolkit by optimizing the expression of a challenging but industrially important enzyme, taxadiene synthase (TXS). This approach enabled us to diagnose an issue with TXS solubility, the resolution of which yielded a 25-fold improvement in taxadiene production.

59 BASIC BIOLOGICAL SCIENCES↗

Numerical relativity in spherical coordinates: A new dynamical spacetime and general relativistic MHD evolution framework for the Einstein Toolkit

We present SphericalNR, a new framework for the publicly available Einstein Toolkit that numerically solves the Einstein field equations coupled to the equations of general relativistic magnetohydrodynamic (GRMHD) in a 3+1 split of spacetime in spherical coordinates without symmetry assumptions. The spacetime evolution is performed using reference-metric versions of either the Baumgarte-Shapiro-Shibata-Nakamura equations or the fully covariant and conformal Z4 system with constraint damping. We have developed a reference-metric version of the Valencia formulation of GRMHD with a vector potential method, guaranteeing the absence of magnetic monopoles during the evolution. In our framework, every dynamical field (both spacetime and matter) is evolved using its components in an orthonormal basis with respect to the spherical reference metric. Furthermore, all geometric information about the spherical coordinate system is encoded in source terms appearing in the evolution equations. This allows for the straightforward extension of Cartesian high-resolution shock-capturing finite volume codes to use spherical coordinates with our framework. To this end, we have adapted GRHydro, a Cartesian finite volume GRMHD code already available in the Einstein Toolkit, to use spherical coordinates. We present the full evolution equations of the framework, as well as details of its implementation in the Einstein Toolkit. Finally, we validate SphericalNR by demonstrating it passes a variety of challenging code tests in static and dynamical spacetimes.

79 ASTRONOMY AND ASTROPHYSICS↗