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At least 649 records · Page 36

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DOE OSTI2018

Spectroscopic Evidence of Phosphorous Heterocycle–DNA Interaction and its Verification by Docking Approach

In the present work, the interaction of phosphorous heterocycle (PH) with calf thymus DNA (CTDNA) has been studied using spectroscopy and verified by molecular modeling which is found to be in consonance with each other. Apparent association constant (K{sub app} = 4.77 × 10{sup 3} M{sup − 1}), calculated using UV–Vis spectra indicating an adequate complex formation between CTDNA and PH. A dynamic mode of the fluorescence quenching mechanism in case of ethidium bromide (EB) + CTDNA by PH has been observed confirming formation of DNA-PH complex. A moderate binding constants of PH with CTDNA + EB has been observed (2.74 × 10{sup 4} M{sup − 1} at 293 K) by means of fluorescence data. Calculated values of thermodynamic parameters enthalpy change (ΔH) and entropy change (ΔS), suggests weak (van der Walls like) force and hydrogen bonds playing the main role in the binding of PH to CTDNA. Furthermore, the results of circular dichroism (CD) reveal that PH does not disturb native conformation of CTDNA. As observed from absorption and fluorescence spectroscopy the binding mode of PH with DNA was indicative of a non-intercalative binding, which was supposed to be a groove binding. The molecular modeling results show that PH is capable of binding DNA having docking binding energy = -7.26 kcal × mol{sup − 1}. Above mentioned experimental results are found to be in consonance with molecular docking simulations and supports the CTDNA-PH binding. .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1989

A verification library for multibody simulation software

A multibody dynamics verification library, that maintains and manages test and validation data is proposed, based on RRC Robot arm and CASE backhoe validation and a comparitive study of DADS, DISCOS, and CONTOPS that are existing public domain and commercial multibody dynamic simulation programs. Using simple representative problems, simulation results from each program are cross checked, and the validation results are presented. Functionalities of the verification library are defined, in order to automate validation procedure.

Kim, Sung-Soo↗

DOE OSTI2024

The Science, Engineering, and Validation of Marine Carbon Dioxide Removal and Storage

Scenarios to stabilize global climate and meet international climate agreements require rapid reductions in human carbon dioxide (CO 2 ) emissions, often augmented by substantial carbon dioxide removal (CDR) from the atmosphere. While some ocean-based removal techniques show potential promise as part of a broader CDR and decarbonization portfolio, no marine approach is ready yet for deployment at scale because of gaps in both scientific and engineering knowledge. Marine CDR spans a wide range of biotic and abiotic methods, with both common and technique-specific limitations. Further targeted research is needed on CDR efficacy, permanence, and additionality as well as on robust validation methods—measurement, monitoring, reporting, and verification—that are essential to demonstrate the safe removal and long-term storage of CO 2 . Engineering studies are needed on constraints including scalability, costs, resource inputs, energy demands, and technical readiness. Research on possible co-benefits, ocean acidification effects, environmental and social impacts, and governance is also required.

climate mitigation↗

DOE OSTI2023

High-Fidelity Numerical Investigation on Elucidating Sodium Heat Transfer Characteristics for 37-Pin Wire-Wrapped Fuel Bundle in the PLANDTL Facility

This study involved a Reynolds-averaged Navier-Stokes- (RANS-) based computational fluid dynamics (CFD) analysis of the 37-pin wire-wrapped fuel bundle of the PNC Plant dynamics test loop (PLANDTL) facility. Previously, mainly the hydrodynamic phenomena of the wire-wrapped fuel bundle were analyzed, but the present study additionally included heat transfer analysis through conjugate heat transfer. The main purpose of the study was to benchmark the experimental data of the PLANDTL 37-pin wire-wrapped fuel bundle to investigate the heat transfer phenomena. In addition, the aim was to verify the accuracy of the RANS-based CFD analysis method using the STAR-CCM+ simulation software in comparison with the experimental data. The grid used for verification was an innovative grid system consisting of hexahedra using Fortran-based code. The development of the RANS-based CFD methodology included grid sensitivity analysis, turbulence model sensitivity analysis, and turbulent Prandtl number sensitivity analysis. Information on the temperature, mass flow rate, and area of the CFD results for each subchannel was provided for the top of the heated section and is expected to serve as a reference for future studies aiming to perform the validation and verification of a PLANDTL facility. In addition, the dependence of the peak temperature on the azimuth angle of each pin was analyzed.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

BuildingIQ Technology Field Validation

This document describes a field validation and verification of the BuildingIQ Predictive Energy Optimization (PEO) technology based on a five-site study. BuildingIQ describes its PEO technology as a software-as-a-service (SaaS) platform that optimizes commercial building HVAC control for system efficiency, occupant comfort, and cost. It is targeted for use in large, complex buildings, and integrates with the building automation system (BAS) to conduct supervisory control. The PEO algorithm defines optimal space air temperature setpoints that are automatically implemented at the variable air volume (VAV) terminal units when possible, or through supply air temperature and duct static pressure setpoints at the air handling unit (AHU) level. The optimization is built upon a learned predictive model that provides a 24-hour ahead forecast of the building’s power profile, using weather forecasts and historical operational data; this model is updated every 4 to 6 hours. Demand-responsive load reductions may also be implemented.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2018

BuildingIQ Technology Field Validation

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2019

Integrated Modeling and Simulation Capability For Full Scale Multi-Physics Simulation and Visualization of Microreactor Concept

Microreactors are small mobile transportable nuclear reactors with thermal power less than 20 MWt that are designed to meet the needs of remote areas, military installations, emergency operations, and disaster relief zones. These reactor are concepts that are intended to be factory-manufacturable, easily transportable, and will allow for semi- or full-autonomous operation. To assist with development of microreactors, modeling and experimentation need to be performed with verification and validation to gain confidence in the models and tools. The objective of this study is apply advanced modeling and simulation capabilities being developed by the DOE Office of Nuclear Energy Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to perform integrated modeling and simulation capability for multiphysics simulation of the microreactor concepts. This activity will provide an opportunity to exercise the codes to provide both gain experience and to provide feedback to the developers.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1988

An overview of key technology thrusts at Bell Helicopter Textron

Insight is provided into several key technologies at Bell. Specific topics include the results of ongoing research and development in advanced rotors, methodology development, and new configurations. The discussion on advanced rotors highlight developments on the composite, bearingless rotor, including the development and testing of full scale flight hardware as well as some of the design support analyses and verification testing. The discussion on methodology development concentrates on analytical development in aeromechanics, including correlation studies and design application. New configurations, presents the results of some advanced configuration studies including hardware development.

Harse, James H.↗

NASA NTRS1991

Test and analysis procedures for updating math models of Space Shuttle payloads

Over the next decade or more, the Space Shuttle will continue to be the primary transportation system for delivering payloads to Earth orbit. Although a number of payloads have already been successfully carried by the Space Shuttle in the payload bay of the Orbiter vehicle, there continues to be a need for evaluation of the procedures used for verifying and updating the math models of the payloads. The verified payload math models is combined with an Orbiter math model for the coupled-loads analysis, which is required before any payload can fly. Several test procedures were employed for obtaining data for use in verifying payload math models and for carrying out the updating of the payload math models. Research was directed at the evaluation of test/update procedures for use in the verification of Space Shuttle payload math models. The following research tasks are summarized: (1) a study of free-interface test procedures; (2) a literature survey and evaluation of model update procedures; and (3) the design and construction of a laboratory payload simulator.

Craig, Roy R., Jr.↗

NASA NTRS1991

Projects in an expert system class

Many universities now teach courses in expert systems. In these courses students study the architecture of an expert system, knowledge acquisition techniques, methods of implementing systems and verification and validation techniques. A major component of any such course is a class project consisting of the design and implementation of an expert system. Discussed here are a number of techniques that we have used at the University of Texas at Tyler to develop meaningful projects that could be completed in a semester course.

Whitson, George M.↗

NASA NTRS1992

Free-free and fixed base modal survey tests of the Space Station Common Module Prototype

This paper describes the testing aspects and the problems encountered during the free-free and fixed base modal surveys completed on the original Space Station Common Module Prototype (CMP). The CMP is a 40-ft long by 14.5-ft diameter 'waffle-grid' cylinder built by the Boeing Company and housed at the Marshall Space Flight Center (MSFC) near Huntsville, AL. The CMP modal survey tests were conducted at MSFC by the Dynamics Test Branch. The free-free modal survey tests (June '90 to Sept. '90) included interface verification tests (IFVT), often referred to as impedance measurements, mass-additive testing and linearity studies. The fixed base modal survey tests (Feb. '91 to April '91), including linearity studies, were conducted in a fixture designed to constrain the CMP in 7 total degrees-of-freedom at five trunnion interfaces (two primary, two secondary, and the keel). The fixture also incorporated an airbag off-load system designed to alleviate the non-linear effects of friction in the primary and secondary trunnion interfaces. Numerous test configurations were performed with the objective of providing a modal data base for evaluating the various testing methodologies to verify dynamic finite element models used for input to coupled load analysis.

Driskill, T. C.↗

NASA NTRSDate not supplied

Treatment of Transient Pressure Events in Space Flight Pressurized Systems

The general physics of pressure transients, sources of pressure transients, and major factors influencing pressure transients are addressed. Mitigation strategies that aid in reducing the magnitude of pressure transients are discussed. Methods to characterize pressure transients and their effects on the structure are presented. Case studies illustrate the structural analysis methodology used to predict the structural dynamic response. The structural verification process involves formulating acceptance and qualification programs, which requires knowledge of the stress state. The maximum expected operating pressure (MEOP) is established such that the maximum stress produced by static pressure is equivalent to the maximum stress at the same critical location produced by the combined effect of steady state pressure and the magnitude of the pressure transient. A roadmap on how to treat transient pressures in the structural verification process of spaceflight pressurized systems (e.g., valves, lines, pressure vessels, pressurized structures) is presented.

Transient Pressure Events↗

NASA NTRS2020

Robotics System Process and Concept for On-orbit Assembly for Potential Mars Sample Return

Proposed Mars Sample Return (MSR) missions would require on-orbit assembly of containment vessels to meet backward Planetary Protection requirements and transfer of the sample container through various stations and positions. Some operations would have to be performed autonomously, and others would require ground-in-loop decision-making stages and verification processes. One concept design for an Earth Return Orbiter (ERO) Capture, Contain, and Return System (CCRS) Transfer Mechanism (TM) is a multi-Degree of Freedom (DOF) manipulator that utilizes a passive End Effector (EE) to assist in containment vessel assembly. To converge on a feasible design, a robotic system process has been instantiated. This process is composed of three main phases: robotic problem definition (operating environment, operations/functions, system goals), robotic solution selection (trade studies on the number of degrees of freedom, number of mechanisms, types of mechanisms), robotic solution design, implementation, and verification and validation (kinematic configuration, robotic and kinematic analysis and topology optimization of components). As a final product of this process, a half-scale functional prototype of the TM was developed to demonstrate the end-to-end operation capability.

Strahle, Jackson W↗

NASA NTRS2011

Improvements to a Response Surface Thermal Model for Orion

A study was performed to determine if a Design of Experiments (DOE)/Response Surface Methodology could be applied to on-orbit thermal analysis and produce a set of Response Surface Equations (RSE) that predict Orion vehicle temperatures within 10 F. The study used the Orion Outer Mold Line model. Five separate factors were identified for study: yaw, pitch, roll, beta angle, and the environmental parameters. Twenty-three external Orion components were selected and their minimum and maximum temperatures captured over a period of two orbits. Thus, there are 46 responses. A DOE case matrix of 145 runs was developed. The data from these cases were analyzed to produce a fifth order RSE for each of the temperature responses. For the 145 cases in the DOE matrix, the agreement between the engineering data and the RSE predictions was encouraging with 40 of the 46 RSEs predicting temperatures within the goal band. However, the verification cases showed most responses did not meet the 10 F goal. After reframing the focus of the study to better align the RSE development with the purposes of the model, a set of RSEs for both the minimum and maximum radiator temperatures was produced which predicted the engineering model output within +/-4 F. Therefore, with the correct application of the DOE/RSE methodology, RSEs can be developed that provide analysts a fast and easy way to screen large numbers of environments and assess proposed changes to the RSE factors.

Miller, Stephen W.↗

DOE OSTI2018

Center for Extended Magnetohydrodrynamic Modeling

This work used the NIMROD code to solve two tokamak regimes found on the DIII-D tokamak. The first regime studied is the Quiescent H-mode regime that has the advantage of enabling tokamak high performance without the deleterious effects of Edge Localized Modes (ELMs). ELMs are a possible impediment to the success of tokamaks as a burning plasma reactor and the QH mode regime provides a mechanism for avoiding it. The QH mode achieves this state due to the appearance of long wavelength instability that saturates instead of reaching an ELM state. NIMROD simulations were able to describe many of the features of a particular discharge, including the importance of shear flow in reaching the state, the role of the parallel heat flux to decorrelate the temperature and velocity fluctations, and in the correlation of density and velocity fluctations to provide the density pumpout. This work resulted in two direct publications and an invited talk. Progress towards these publications resulted in two more publications (verification and solving the Grad-Shafranov equation with scrape-off-layer currents). The second regime studied was the Giant Sawtooth regime whereby energetic particles affect the stability of the 1/1 mode. This work resulted in performance improvements of NIMROD's energetic particle algorithms, and improvements to the drift-kinetic equation infrastructure used by both continuum and energetic particle closure methods. The studies proved more computationally demanding than expected because as the 1/1 is stabilized, the near marginal conditions cause long simulations times. Publication of this work is in progress under other funding.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Non-nuclear Component Signatures for Warhead Dismantlement Confirmation

The verification of warhead dismantlement is expected to be an important component in future arms reduction treaties. Historic approaches developed with future arms control treaty verification in mind often involve intrusive measurements, process monitoring, and/or inspector presence to provide confidence that an authentic warhead has been dismantled. This work explores the possibility of reducing the negative impacts of these invasive approaches while also delivering a method that is more likely to provide non-sensitive data that can be shared with not only other nuclear weapons states but also non-nuclear weapons states partners. This work explores a novel approach for verifying dispositioned non-nuclear weapon components, providing confidence post-dismantlement that a treaty accountable item that was dismantled was in fact a treaty-relevant nuclear weapon system as declared. This method provides an alternative to intrusive inspection processes in nuclear weapons production environments, which would require significant changes to the host’s operational behaviors. It achieves this by identifying intrinsic neutron-induced signatures of non-nuclear components to determine their authenticity and estimate the duration they were exposed within a nuclear weapons system using technologies that are already in use for other national security applications. Intrinsic radiation effects studies are already a part of the stockpile aging and surveillance evaluations. However, none of these technologies and approaches have been previously considered for verification applications of non-nuclear component disposition. In this report, we introduce modeling studies that have been used to identify the most promising candidate parts and materials with signatures that are measurable and actionable. These models have been validated with laboratory measurements of signatures induced by the exposure of candidate materials to neutrons over a range of times. Predictive modeling then demonstrates the methodology for estimating exposure times and/or limits. Laboratory measurements of authentic non-nuclear parts from a dismantled warhead demonstrate the feasibility of employing these signature measurements. And finally, a concept of operations (CONOPS) for the potential use of this methodology is presented.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2021

Chemical looping air separation with Sr 0.8 Ca0.2Fe 0.9 Co 0.1 O 3-δ perovskite sorbent: Packed bed modeling, verification, and optimization

Chemical looping air separation (CLAS) represents a promising approach for efficient O 2 production from the air. This present study aims at optimizing the absorber/desorber operations and the separation process with extensive experimental validation. Specifically, a one-dimensional packed bed model was developed to investigate the CLAS operation with a Sr 0.8 Ca 0.2 Fe 0.9 Co 0.1 O 3-δ perovskite sorbent. The redox thermodynamics of perovskite sorbent was measured by TGA and then incorporated into a linear driving force model to describe the O 2 absorption and desorption rates. Both 4-step and 5-step air separation cycle configurations, with various cyclic structures, were performed in a subpilot-scale packed bed. The model predicted O2 purity and productivity were consistent with experimental results, supporting its accuracy and applicability. Parametric analysis and multi-objective optimization were further carried out to assess the performance of CLAS. Both O 2 purity and recovery increased monotonically with the cycle time, airflow rate, steam flow rate, and absorption pressure. Meanwhile, optimal O 2 productivity and power consumption can only be achieved by specific combinations of these parameters. The optimized results showed that CLAS can be highly competitive when compared to conventional pressure swing adsorption (PSA) or cryogenic distillation. The 5-step cycle configuration achieved a minimum power consumption of 118 kW·h for producing 1 ton O 2 with ≥ 95% purity. The maximum O 2 productivity reached 0.0932 g O2 /(g sorbent ·h) with 390 kW·h/ton O 2 of energy consumption (95% pure). The optimization results also indicate that CLAS can potentially be more efficient than cryogenic distillation even when the required O 2 purity is above 99%.

42 ENGINEERING↗

DOE OSTI2025

Development, validation, and verification of multi-pass thermo-mechanical welding simulations using the open-source MOOSE framework: NeT TG4 benchmark weldment

This study develops and validates a sequentially coupled thermo-mechanical welding simulation for the three-pass 316L stainless steel NeT TG4 benchmark weldment using the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) and the Nuclear Engineering Material model Library (NEML). A diffused ellipsoidal heat source was calibrated against thermocouple data and weld macrographs to accurately model the fusion zone geometry and transient thermal fields. Material hardening is represented using the Lemaitre-Chaboche mixed isotropic-kinematic hardening model, while four annealing models - no annealing, single-stage at 1050 °C and 1300 °C, and two-stage at 800 °C/1300 °C - were implemented to assess the impact of annealing models on the accuracy of the predicted welding-induced plasticity, distortions, and residual stresses. The predictions were validated against experimental measurements and benchmarked against results from commercial software, demonstrating that thermo-mechanical MOOSE welding simulations achieve comparable accuracy with enhanced computational efficiency. This work highlights the potential of using open-source finite element frameworks like MOOSE for advanced manufacturing simulations.

Ji, Wendy [Australian Nuclear Science and Technolo↗