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At least 1,747 records · Page 97

Predicting Ecological Roles in the Rhizosphere Using Metabolome and Transportome Modeling

The ability to obtain complete genome sequences from bacteria in environmental samples, such as soil samples from the rhizosphere, has highlighted the microbial diversity and complexity of environmental communities. However, new algorithms to analyze genome sequence information in the context of community structure are needed to enhance our understanding of the specific ecological roles of these organisms in soil environments. We present a machine learning approach using sequenced Pseudomonad genomes coupled with outputs of metabolic and transportomic computational models for identifying the most predictive molecular mechanisms indicative of a Pseudomonad's ecological role in the rhizosphere: a biofilm, biocontrol agent, promoter of plant growth, or plant pathogen. Computational predictions of ecological niche were highly accurate overall with models trained on transportomic model output being the most accurate (Leave One Out Validation F-scores between 0.82 and 0.89). The strongest predictive molecular mechanism features for rhizosphere ecological niche overlap with many previously reported analyses of Pseudomonad interactions in the rhizosphere, suggesting that this approach successfully informs a system-scale level understanding of how Pseudomonads sense and interact with their environments. The observation that an organism's transportome is highly predictive of its ecological niche is a novel discovery and may have implications in our understanding microbial ecology. The framework developed here can be generalized to the analysis of any bacteria across a wide range of environments and ecological niches making this approach a powerful tool for providing insights into functional predictions from bacterial genomic data.

59 BASIC BIOLOGICAL SCIENCES↗

Coupled EM-PIC/Radiation Transport Simulations of HERMES Courtyard Experiments

A suite of coupled computational models for simulating the radiation, plasma, and electromagnetic (EM) environment in the High-Energy Radiation Megavolt Electron Source (HERMES) courtyard has been developed. In principle, this provides a predictive forward-simulation capability based solely on measured upstream anode and cathode current waveforms in the Magnetically Insulated Transmission Line (MITL). First, 2D R-Z ElectroMagnetic Particle-in-Cell (EM-PIC) simulations model the MITL and diode to compute a history of all electrons incident on the converter. Next, radiation transport simulations use these electrons as a source to compute the time-dependent dose rate and volumetric electron production in the courtyard. Finally, the radiation transport output is used as sources for EM-PIC simulations of the courtyard to com- pute electromagnetic responses. This suite has been applied to the November 2016 trials, shots 10268-10313. Modeling and experiment differ in significant ways. This is just the first iteration of a long process to improve the agreement, as outlined in the summary.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

7th World Congress on Integrated Computational Materials Engineering (ICME 2023) (Final Technical Report)

Integrated Computational Materials Engineering (ICME) has received international attention due to its potential to shorten product development time, while lowering cost and improving design and manufacturing outcomes. ICME is an approach to designing materials solutions for specific applications that use computer modeling programs to predict the behavior of materials and integrate this information into the overall materials, processing, and manufacturing design cycle. The 7th World Congress on Integrated Computational Materials Engineering (ICME 2023) was held in Orlando, Florida from May 21–25, 2023 with the goal to convene stakeholders from across all areas of modeling and simulation, experimental specialization, and design, as well as from across academia, government, and industry, to address ICME tools and techniques and their integration, as well as to examine their application in engineering. This atmosphere facilitated rich interactions between the experimentalists, modelers, and computational and design, from academia, government, and industry, to discuss ICME tools and techniques and their application in engineering.

36 MATERIALS SCIENCE↗

Modeling Principles Using the Relation Between Lagrange Multipliers and Bond Graphs

Final document is attached. Modeling dynamic systems by bond graphs has become state of the art technology since hundreds of researchers around the world have incorporated the technology in many fields of engineering and science. The legacy of its invertor Prof. Henry Paynter at MIT in 1959 is now a fundamental and practical technique to understand reality by building computer models. This paper addresses a particular aspect of this technology when modeling of mechanical systems require relaxation of constraints by means of Lagrange principles. Lagrange's equations are a useful means of describing and solving systems with kinematic constraints. Lagrange multipliers are variables used in equations to find the extremes of multivariate functions. Here we explore the relation of Lagrange multipliers to solve modeling difficulties of a space vehicle with equations with dependent derivatives. Lagrange multipliers were used in conjunction with bond graphs to simulate a system where joints of kinematic linkages produce dependent derivatives. NASA's Morpheus Project lunar lander was used as a case study. The Morpheus Project is a terrestrial test vehicle designed to fly the terminal descent trajectory of a lunar lander to advance the Autonomous Landing Hazard Avoidance Technology (ALHAT). An objective of this study is to apply the modeling approach herein to capture the dynamic movement of the lander as the propellant is sloshed and consumed. This paper expands further the analysis presented by (Granda, J J. Nguyen, L, Carlson, T, Sahragard-Monfared, G., Fornalski, E., Brocker 2016). Using an automated approach bond graph models of state space equations were generated using the Computer Aided Modeling Program (CAMPG). Integral causality models and derivative causality models were considered in order to find the simpler solution for the mathematical dependencies produced in modeling this vehicle.

Granda, Jose J.↗

Tracking radioactivity content in the spent fuel pool in PWRS - 15150

Over the last decade, significant progress has been made in managing radioisotopes generated in the PWR primary systems. These include limiting the use of cobalt containing materials, along with improved fuel performance and zinc injection to passivate the corrosion layers to limit the accumulation of Co-58 and Co-60 on primary coolant surfaces. Attention here is directed to the spent fuel pool where accumulation of spent fuel and activated material represents a growing source of mobile radioactivity supplemented with periodic exchanges of water from the reactor cooling system. Characterization of this source is increasingly important to effective management of disposal options. This paper examines the radioactive resin source term as determined from routine sampling of the coolant and fuel pool liquids. Targeted resin stream sampling and radiochemical analyses conducted at Diablo Canyon serve to inform and provide context for this examination. This examination is supplemented with computer modelling using the DW James Consulting computer program, 3R-SCAN. At most operating plants daily reactor coolant samples are counted using gamma spectroscopy and recorded. These samples serve to track fuel performance and maintain water chemistry. A secondary use for this data is to maintain a day to day tracking of releases of radioisotopes important to waste disposal. Given the coolant concentrations, plant operating history, and corroborative mathematical models and sampling, accumulation of these radioisotopes in coolant cleanup system ion-exchangers can be predicted. Fuel pool sampling is less frequent, but at the same time, things change more slowly there. The fuel pool contains about ten times the volume of the reactor coolant but its cleanup system process rate is comparable to reactor coolant letdown, i.e. 5.047 - 8.833 liters per second [lps] (80-140 gallons per minute [gpm]). A spent fuel pool clean-up demineralizer flow rate is typically about 5.047 lps (80 gpm). Concentrations of longer lived radioisotopes in the spent fuel pool can be comparable to those in reactor coolant. Releases of corrosion products and fission products from the stored fuel occur at a low rate but given the overall inventory can be significant. Recognized scaling factor ratios, particularly those to Co-60, are skewed by the aging of the material in the pool. An additional consideration stems from refueling operations themselves. Prior to refueling, it is common practice to conduct a forced oxidation of the corrosion films within the reactor. This spikes the activity within the reactor coolant. Most of this activity is removed by the reactor coolant purification system prior to removing the reactor head. This paper examines the accumulation of activity in the fuel pool purification ion exchange resins and how it impacts the overall classification of those ion exchange resins. The following discussion focuses on the transport of nickel and cobalt isotopes particularly as it relates to determination of Ni-63 which has become increasingly prominent in disposal classification. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Computational Design of Batteries from Materials to Systems

Computer models are helping to accelerate the design and validation of next generation batteries and provide valuable insights not possible through experimental testing alone. Validated 3-D physics-based models exist for predicting electrochemical performance, thermal and mechanical response of cells and packs under normal and abuse scenarios. The talk describes present efforts to make the models better suited for engineering design, including improving their computation speed, developing faster processes for model parameter identification including under aging, and predicting the performance of a proposed electrode material recipe a priori using microstructure models.

25 ENERGY STORAGE↗

Modeling Analysis for Nuclear Material Transport Package

This paper describes the computational models for the thermal analyses for 9975 nuclear material package under the Normal Conditions of Transport (NCT) and the Hypothetical Accident Conditions (HAC). The package 9975 is a DOE certified package that has been used in the DOE complex for transportation and long term storage of radioactive material. The NCT and HAC thermal analyses for the 9975 package were performed here by taking a computational heat transfer method. The HAC thermal models described here are identical to the models in the current DOE certified 9975 package. Thermal models in this work are for an undamaged package to meet all the regulatory requirements during an HAC thermal event. The model was created using modified shielding where the lead was encapsulated in a 0.036 inches stainless steel casing. The impact of this casing was studied earlier when the modification was proposed and it was found to have minimal impact on the component temperatures. Therefore, the analyses in this paper are good for packages with or without the shielding modifications. Analytical studies show that the realistic value for the solar absorptivity for the stainless steel surface fabricated from the rolling operation is about 0.5. The NCT analyses documented in this report use an absorptivity value of 0.5 to get more realistic component temperature results. Sensitivity studies were also performed to assess the impact of variability in the solar absorptivity for drum surface in the previous work for the NRC certification. The analysis in this paper is based on PuO{sub 2} in a food can. The food can is considered uncredited convenience containers inside the Primary Containment Vessel (PCV) of the 9975 package. PCV is located inside Secondary Containment Vessel (SCV). PuO{sub 2} has a density of 2 g/cc and a heat generation rate of 19 watts. This calculation evaluates the thermal performance for 9975 package with food can configuration during NCT and HAC per NRC regulations in 10 CFR Part 71. The objective of the calculation is to demonstrate that the maximum component temperatures are below their design limits. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Geometry dependence of the fluctuation intensity in gyrokinetic turbulence

The findings of an investigation into the properties of the three dimensional (3D) saturated fluctuation intensity of the electric potential in gyrokinetic turbulence simulations is presented. Scans in flux surface elongation and Shafranov shift are used to isolate the tokamak geometric dependencies. The potential intensity required in order to compute exact fluxes by a quasilinear method is determined using linear eigenmodes computed with the gyrokinetic code. A model of this non-linear intensity is constructed using the linear eigenmode properties and the geometry shape functions obtained from the 3D intensity spectrum. The model computes the poloidal wavenumber spectrum of the electron and ion energy fluxes with unprecedented accuracy. In conclusion, new insights are gained into the way zonal flow mixing saturates ion-scale turbulence by controlling the radial wavenumber width of the turbulence spectrum.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Computational and human observer image quality evaluation of low dose, knowledge-based CT iterative reconstruction

Purpose: Aims in this study are to (1) develop a computational model observer which reliably tracks the detectability of human observers in low dose computed tomography (CT) images reconstructed with knowledge-based iterative reconstruction (IMR™, Philips Healthcare) and filtered back projection (FBP) across a range of independent variables, (2) use the model to evaluate detectability trends across reconstructions and make predictions of human observer detectability, and (3) perform human observer studies based on model predictions to demonstrate applications of the model in CT imaging. Methods: Detectability (d′) was evaluated in phantom studies across a range of conditions. Images were generated using a numerical CT simulator. Trained observers performed 4-alternative forced choice (4-AFC) experiments across dose (1.3, 2.7, 4.0 mGy), pin size (4, 6, 8 mm), contrast (0.3%, 0.5%, 1.0%), and reconstruction (FBP, IMR), at fixed display window. A five-channel Laguerre–Gauss channelized Hotelling observer (CHO) was developed with internal noise added to the decision variable and/or to channel outputs, creating six different internal noise models. Semianalytic internal noise computation was tested against Monte Carlo and used to accelerate internal noise parameter optimization. Model parameters were estimated from all experiments at once using maximum likelihood on the probability correct, P{sub C}. Akaike information criterion (AIC) was used to compare models of different orders. The best model was selected according to AIC and used to predict detectability in blended FBP-IMR images, analyze trends in IMR detectability improvements, and predict dose savings with IMR. Predicted dose savings were compared against 4-AFC study results using physical CT phantom images. Results: Detection in IMR was greater than FBP in all tested conditions. The CHO with internal noise proportional to channel output standard deviations, Model-k4, showed the best trade-off between fit and model complexity according to AIC{sub c}. With parameters fixed, the model reasonably predicted detectability of human observers in blended FBP-IMR images. Semianalytic internal noise computation gave results equivalent to Monte Carlo, greatly speeding parameter estimation. Using Model-k4, the authors found an average detectability improvement of 2.7 ± 0.4 times that of FBP. IMR showed greater improvements in detectability with larger signals and relatively consistent improvements across signal contrast and x-ray dose. In the phantom tested, Model-k4 predicted an 82% dose reduction compared to FBP, verified with physical CT scans at 80% reduced dose. Conclusions: IMR improves detectability over FBP and may enable significant dose reductions. A channelized Hotelling observer with internal noise proportional to channel output standard deviation agreed well with human observers across a wide range of variables, even across reconstructions with drastically different image characteristics. Utility of the model observer was demonstrated by predicting the effect of image processing (blending), analyzing detectability improvements with IMR across dose, size, and contrast, and in guiding real CT scan dose reduction experiments. Such a model observer can be applied in optimizing parameters in advanced iterative reconstruction algorithms as well as guiding dose reduction protocols in physical CT experiments.

60 APPLIED LIFE SCIENCES↗

The Application of New Software Technology to the Architecture of the National Cycle Program

As part of the Numerical Propulsion System Simulation (NPSS) effort of NASA Lewis in conjunction with the United States aeropropulsion industry, a new system simulation framework, the National Cycle Program (NCP), capable of combining existing empirical engine models with new detailed component-based computational models is being developed. The software architecture of the NCP program involves a generalized object- oriented framework and a base-set of engine component models along with supporting tool kits which will support engine simulation in a distributed environment. As the models are extended to contain two and three dimensions the computing load increases rapidly and it is intended that this load be distributed across multiple work stations executing concurrently in order to get acceptably fast results. The research carried out was directed toward performance analysis of the distributed object system. More specifically, the performance of the actor-based distributed object design I created earlier was desired. To this end, the research was directed toward the design and implementation of suitable performance-analysis techniques and software to demonstrate those techniques. There were three specific results which are reported in two separate reports submitted separately as NASA Technical Memoranda. The results are: (1) Design, implementation, and testing of a performance analysis program for a set of active objects (actor based objects) which allowed the individual actors to be assigned to arbitrary processes on an arbitrary set of machines. (2) The global-balance-equation approach has the fundamental limitation that the number of equations increases exponentially with the number of actors. Hence, unlike many approximate approaches to this problem, the nearest-neighbor approach allows checking of the solution and an estimate of the error. The technique was demonstrated in a prototype analysis program as part of this research. The results of the program were checked against the global-balance solution discussed above. Late during the grant, a much better approximation was developed and this is discussed in result below. As a consequence, a proposal was submitted to continue the research by developing the new approximation including development of a complete program from the prototype. (3) The source of approximation in the nearest-neighbor algorithm is the requirement for estimating some joint probabilities from some marginal distributions. A completely ad hoc estimate was used in the prototype.

Schoeffler, James D.↗

A Systems Analysis Approach to Understanding the Physiological Adaptation to Spaceflight

This book is a summary of interdisciplinary research (physiology, space medicine, engineering, computer science, mathematics) that spans two decades (1972-1992). The research was an attempt to use systems analysis, mathematical modeling, computer simulations, and database systems to integrate the biomedical spaceflight data that was being collected during this period. The goal of the effort was to achieve a better understanding of the human physiological response to short-term and long-term space travel. The activity was primarily devoted to analyzing the biomedical results of Skylab (1973-74), a series of three space missions which is still ranked as the most comprehensive of all long-term biomedical space studies to date. This work was begun as a coordinated effort between the National Aeronautics and Space Administration (Johnson Space Center) and the General Electric Company’s Space Division (Houston, TX). It was the intent that this multidisciplined, integrative approach could reveal aspects of the then-new science of microgravity adaptation that were not obvious by adhering to the traditional methodology of examining each organ system in isolation. Some joint work with the Russians, including the Apollo-Soyez test project and a joint bedrest study was also supported during this period. In the 1980’s the systems analysis group’s effort was redirected to support the science management of human and animal experiments on the Space Shuttle. A few examples from this era are also included in the book. Parts of this work have been published elsewhere, presented at technical meetings, and documented in reports with limited distribution. These publications will be referenced throughout the text and the interested reader is advised to use these as resource material where additional details are desired. The intent of this book is not to reproduce these documents but rather to present a coherent view of the integrative analysis under one cover. This volume contains the first detailed publication (other than in internal reports) of an extensive metabolic balance analysis of Skylab data, the development and validation of the “Whole-Body Algorithm,” and simulation studies of diverse hypogravic environments. An analysis of cardiovascular deconditioning and a description of the calcium regulatory model are also new. A long period has passed between the completion of the main body of work represented in this book and its publication in this form. It was inevitable that new research efforts would lead to developments related to the spaceflight problems addressed and thereby make some of our biomedical conclusions obsolete. Although in some cases reference to more recent work have been included, for the most part this book should be considered an historical summary demonstrating the approach and utility of systems analysis and computer modeling in the NASA Life Sciences program at the time the studies were conducted.

Leonard, Joel I.↗

Continuum-kinetic-microscopic model of lung clearance due to core-annular fluid entrainment

The human lung is protected against aspirated infectious and toxic agents by a thin liquid layer lining the interior of the airways. This airway surface liquid is a bilayer composed of a viscoelastic mucus layer supported by a fluid film known as the periciliary liquid. The viscoelastic behavior of the mucus layer is principally due to long-chain polymers known as mucins. The airway surface liquid is cleared from the lung by ciliary transport, surface tension gradients, and airflow shear forces. This work presents a multiscale model of the effect of airflow shear forces, as exerted by tidal breathing and cough, upon clearance. The composition of the mucus layer is complex and variable in time. To avoid the restrictions imposed by adopting a viscoelastic flow model of limited validity, a multiscale computational model is introduced in which the continuum-level properties of the airway surface liquid are determined by microscopic simulation of long-chain polymers. A bridge between microscopic and continuum levels is constructed through a kinetic-level probability density function describing polymer chain configurations. The overall multiscale framework is especially suited to biological problems due to the flexibility afforded in specifying microscopic constituents, and examining the effects of various constituents upon overall mucus transport at the continuum scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Performance and wake flow characterization of a 1:8.7-scale reference USDOE MHKF1 hydrokinetic turbine to establish a verification and validation test database

As hydrokinetic turbine technologies continue to advance towards commercialization, public datasets on the performance characteristics for these devices and their flow field effects are invaluable to advance our understanding of these technologies and to validate analytical and numerical models. The Applied Research Laboratory at The Pennsylvania State University (ARL Penn State) collaborated with Sandia National Laboratories and the University of California at Davis to design, fabricate (at a 1:8.7 scale), and experimentally test a novel hydrokinetic turbine rotor design to provide an open platform and dataset for further study and development. The water tunnel test of this three-bladed, horizontal-axis rotor recorded power production, blade loading, the near-wake flow, cavitation effects, and noise generation. These state-of-the-art measurements demonstrate much of the complex physics associated with the flow through an unducted, horizontal-axis turbine, and they elucidate the performance characteristics and flow field effects at an unprecedented fidelity, accuracy and resolution. Measurements of powering coefficients (power, torque and thrust) as a function of tip-speed-ratio were performed. The dataset also includes unsteady measurements of driveshaft loading, blade strain, tower pressures, and radiated noise. Detailed flow mapping using laser Doppler velocimetry, and planar and stereo particle image velocimetry includes measurements of mean velocity and Reynolds stresses. Although the wake measurements are limited to less than half a diameter, they reveal the complex flow patterns in the near-wake structure of the rotor. The full database, available at the United States Department of Energy’s marine and hydrokinetic data repository, includes tunnel and model Computer Aided Design geometry files and inflow data sufficient for a “Model-the-Test” computational Verification and Validation study.

13 HYDRO ENERGY↗

Foundations of plasma standards

Abstract The field of low-temperature plasmas (LTPs) excels by virtue of its broad intellectual diversity, interdisciplinarity and range of applications. This great diversity also challenges researchers in communicating the outcomes of their investigations, as common practices and expectations for reporting vary widely in the many disciplines that either fall under the LTP umbrella or interact closely with LTP topics. These challenges encompass comparing measurements made in different laboratories, exchanging and sharing computer models, enabling reproducibility in experiments and computations using traceable and transparent methods and data, establishing metrics for reliability, and in translating fundamental findings to practice. In this paper, we address these challenges from the perspective of LTP standards for measurements, diagnostics, computations, reporting and plasma sources. This discussion on standards, or recommended best practices, and in some cases suggestions for standards or best practices, has the goal of improving communication, reproducibility and transparency within the LTP field and fields allied with LTPs. This discussion also acknowledges that standards and best practices, either recommended or at some point enforced, are ultimately a matter of judgment. These standards and recommended practices should not limit innovation nor prevent research breakthroughs from having real-time impact. Ultimately, the goal of our research community is to advance the entire LTP field and the many applications it touches through a shared set of expectations.

data and reaction mechanisms↗

New Insights from Sum Frequency Generation Vibrational Spectroscopy into the Interactions of Islet Amyloid Polypeptides with Lipid Membranes

Studies of amyloid polypeptides on membrane surfaces have gained increasing attention in recent years. Several studies have revealed that membranes can catalyze protein aggregation and that the early products of amyloid aggregation can disrupt membrane integrity, increasing water permeability and inducing ion cytotoxicity. Nonetheless, probing aggregation of amyloid proteins on membrane surfaces is challenging. Surface-specific methods are required to discriminate contributions of aggregates at the membrane interface from those in the bulk phase and to characterize protein secondary structures in situ and in real time without the use of perturbing spectroscopic labels. Here, we review the most recent applications of sum frequency generation (SFG) vibrational spectroscopy applied in conjunction with computational modeling techniques, a joint experimental and computational methodology that has provided valuable insights into the aggregation of islet amyloid polypeptide (IAPP) on membrane surfaces. These applications show that SFG can provide detailed information about structures, kinetics, and orientation of IAPP during interfacial aggregation, relevant to the molecular mechanisms of type II diabetes. These recent advances demonstrate the promise of SFG as a new approach for studying amyloid diseases at the molecular level and for the rational drug design targeting early aggregation products on membrane surfaces.

Endocrinology & Metabolism↗

Design Analysis Kit for Optimization and Terascale Applications 6.0

Sandia's Dakota software (available at http://dakota.sandia.gov) supports science and engineering transformation through advanced exploration of simulations. Specifically it manages and analyzes ensembles of simulations to provide broader and deeper perspective for analysts and decision makers. This enables them to: (1) enhance understanding of risk, (2) improve products, and (3) assess simulation credibility. In its simplest mode, Dakota can automate typical parameter variation studies through a generic interface to a computational model. However, Dakota also delivers advanced parametric analysis techniques enabling design exploration, optimization, model calibration, risk analysis, and quantification of margins and uncertainty with such models. It directly supports verification and validation activities. The algorithms implemented in Dakota aim to address challenges in performing these analyses with complex science and engineering models from desktop to high performance computers.

Source record↗

DAKOTA (Design Analysis Kit for Optimization and Terascale) v.6.14

Sandia's Dakota software supports science and engineering transformation through advanced exploration of simulations. Specifically, Dakota manages and analyzes ensembles of simulations to provide broader and deeper perspective for analysts and decision makers. This enables them to: (1) enhance understanding of risk, (2) improve products, and (3) assess simulation credibility. In its simplest mode, Dakota can automate typical parameter variation studies through a generic interface to a computational model. Dakota also delivers advanced parametric analysis techniques enabling design exploration, optimization, model calibration, risk analysis, and quantification of margins and uncertainty with such models. It directly supports verification and validation activities. The algorithms implemented in Dakota aim to address challenges in performing these analyses with complex science and engineering models from desktop to high performance computers. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525 SAND2021-10468 O

Adams, BrianM.↗

DAKOTA (Design Analysis Kit for Optimization and Terascale) v.6.16

Sandia's Dakota software supports science and engineering transformation through advanced exploration of simulations. Specifically, Dakota manages and analyzes ensembles of simulations to provide broader and deeper perspective for analysts and decision makers. This enables them to: (1) enhance understanding of risk, (2) improve products, and (3) assess simulation credibility. In its simplest mode, Dakota can automate typical parameter variation studies through a generic interface to a computational model. Dakota also delivers advanced parametric analysis techniques enabling design exploration, optimization, model calibration, risk analysis, and quantification of margins and uncertainty with such models. It directly supports verification and validation activities. The algorithms implemented in Dakota aim to address challenges in performing these analyses with complex science and engineering models from desktop to high performance computers. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525 SAND2021-10468 O

Adams, BrianM.↗