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DOE OSTI2012

Construction of accuracy-preserving surrogate for the eigenvalue radiation diffusion and/or transport problem

The construction of surrogate models for high fidelity models is now considered an important objective in support of all engineering activities which require repeated execution of the simulation, such as verification studies, validation exercises, and uncertainty quantification. The surrogate must be computationally inexpensive to allow its repeated execution, and must be computationally accurate in order for its predictions to be credible. This manuscript introduces a new surrogate construction approach that reduces the dimensionality of the state solution via a range-finding algorithm from linear algebra. It then employs a proper orthogonal decomposition-like approach to solve for the reduced state. The algorithm provides an upper bound on the error resulting from the reduction. Different from the state-of-the-art, the new approach allows the user to define the desired accuracy a priori which controls the maximum allowable reduction. We demonstrate the utility of this approach using an eigenvalue radiation diffusion model, where the accuracy is selected to match machine precision. Results indicate that significant reduction is possible for typical reactor assembly models, which are currently considered expensive given the need to employ very fine mesh many group calculations to ensure the highest possible fidelity for the downstream core calculations. Given the potential for significant reduction in the computational cost, we believe it is possible to rethink the manner in which homogenization theory is currently employed in reactor design calculations. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2012

Shape optimization of a printed-circuit heat exchanger to enhance thermal-hydraulic performance

Printed circuit heat exchanger (PCHE) is recently considered as a recuperator for the high temperature gas cooled reactor. In this work, the zigzag-channels of a PCHE have been optimized by using three-dimensional Reynolds-Averaged Navier-Stokes (RANS) analysis and response surface approximation (RSA) modeling technique to enhance thermal-hydraulic performance. Shear stress transport turbulence model is used as a turbulence closure. The objective function is defined as a linear combination of the functions related to heat transfer and friction loss of the PCHE, respectively. Three geometric design variables viz., the ratio of the radius of the fillet to hydraulic diameter of the channels, the ratio of wavelength to hydraulic diameter of the channels, and the ratio of wave height to hydraulic diameter of the channels, are used for the optimization. Design points are selected through Latin-hypercube sampling. The optimal design is determined through the RSA model which uses RANS derived calculations at the design points. The results show that the optimum shape enhances considerably the thermal-hydraulic performance than a reference shape. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2012

Measurement of interfacial structures in horizontal air-water bubbly flows

In order to predict multi-dimensional phenomena in nuclear reactor systems, methods relying on computational fluid dynamics (CFD) codes are essential. However, to be applicable in assessing thermal-hydraulic safety, these codes must be able to accurately predict the development of two-phase flows. Therefore, before practical application these codes must be assessed using experimental databases that capture multi-dimensional phenomena. While a large database exists that can be employed to assess predictions in vertical flows, the available database for horizontal flows is significantly lacking. Therefore, the current work seeks to develop an additional database in air-water horizontal bubbly flow through a 38.1 mm ID test section with a total development length of approximately 250 diameters. The experimental conditions are chosen to cover a wide range of the bubbly flow regime based upon flow visualization using a high-speed video camera. A database of local time-averaged void fraction, bubble velocity, interfacial area concentration, and bubble Sauter mean diameter are acquired throughout the pipe cross-section using a four-sensor conductivity probe. To investigate the evolution of the flow, measurements are made at axial locations of 44, 116, and 244 diameters downstream of the inlet. In the current work, only measurements obtained at L/D = 244 are presented. It is found that increasing the liquid superficial velocity tends to reduce both the bubble size and the degree of bubble packing near the upper wall. However, it is observed that the position of the maximum void fraction value remains nearly constant and is located approximately one bubble diameter away from the upper wall. It is also found that the bubble velocity exhibits a power law behavior resembling a single phase liquid turbulent velocity profile. Moreover, the local bubble velocity tends to decrease as the local void fraction increases. Conversely, increasing the gas superficial velocity is found to have little effect on the bubble size or velocity, but increases the bubble packing near the upper pipe wall. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2012

Gas and liquid measurements in air-water bubbly flows

Local measurements of gas- and liquid-phase flow parameters are conducted in an air-water two-phase flow loop. The test section is a vertical pipe with an inner diameter of 50 mm and a height of 3.2 m. The measurements are performed at z/D = 10. The gas-phase measurements are performed using a four-sensor conductivity probe. The data taken from this probe are processed using a signal processing program to yield radial profiles of the void fraction, bubble velocity, and interfacial area concentration. The velocity measurements of the liquid-phase are performed using a state-of-the-art Particle Image Velocimetry (PIV) system. The raw PIV images are acquired using fluorescent particles and an optical filtration device. Image processing is used to remove noise in the raw PIV images. The statistical cross correlation is introduced to determine the axial velocity field and turbulence intensity of the liquid-phase. Measurements are currently being performed at z/D = 32 to provide a more complete data set. These data can be used for computational fluid dynamic model development and validation. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Fuel pin zoning to improve the accuracy of the palisades spent fuel pool criticality analysis

Most PWR spent fuel pool criticality analyses assume that the burnup is uniformly distributed among the fuel pins in the assembly. This assumption is accurate for PWR cores that have the typical small inter-assembly gap. The Palisades reactor core, however, is different in that it uses cruciform control rods in between fuel assemblies. Every interior assembly has two sides having a wide water gap and two sides having a narrow water gap. After depleting under these conditions, the pins near the wide water gap will have a higher burnup than the pins in the center. If the burnup is distributed uniformly among the pins, the resulting k calculation will be conservative but excessively so. The excess conservatism was found to be on the order of 1% in k. For this analysis, SCALE 6.1 depletion with TRITON is used followed by the CSAS5 module for the Palisades pool analysis. Several burnup zoning arrangements (uniform enrichment) were investigated ranging from 3 zones to as many as 19 zones. The 19 zone analysis agreed well with a CASMO analysis where every pin was its own depletion zone. It was found that 8 fuel zones gave essentially the same result as 19 zones with less complexity. The depletion calculation using 8 fuel zones instead of a single zone is more complicated but the resulting k calculation no longer has the excessive conservatism seen in a one zone model. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Electronics Upgrades to the Green is Clean Phoswich Detector Systems and Programmatic Implementation at LANL - Phase II Completion - 18403

Los Alamos National Laboratory (LANL) radiological facilities produce low-density room trash that, in many cases, is not contaminated with radioactivity. It has been estimated that 50 to 90% of low-density room trash is free of radioactive contamination and eligible for inclusion in LANL's Green is Clean (GIC) program. The GIC program is a verification program for non-regulated waste from radiation controlled areas that has been actively segregated as nonradioactive through the use of the waste generator's acceptable knowledge. The GIC program has employed two large area Phoswich gamma ray detector systems (HERCULES and ZEUS) to verify that GIC candidate low-density waste contains no radioactivity above background. The large area (127 cm{sup 2}) Phoswich detectors consist of a thin NaI front crystal (3 mm thick) that is optically coupled to a thick CsI back crystal (50 mm thick). The scintillation properties of the two crystals are different enough to allow the system's electronic components to identify the origin of any pulse. The original systems utilize Nuclear Instrumentation Module (NIM) electronics to process the detector signals. The electronics currently in use by the systems are out of date and some components are no longer manufactured. In 2015, phase I upgrades to the GIC detector systems were completed. Phase I objectives included identifying more modern commercially available electronics that could replace the NIM electronics. A pulse shape discriminator (PSD) module, the Digital Gamma Finder (DGF) Pixie-4 made by XIA LLC, that fits in a compact National Instruments{sup TM} PXI chassis was identified to replace the majority of the original NIM bin electronics - a single Pixie-4 module replaces four NIM amplifiers and four NIM pulse shape analyzers (PSAs). Another phase I objective was to show that that new PSD could separate out the NaI and CsI detector signals in a manner equivalent to or better than the NIM electronics. Proof of concept was achieved in 2015 when a prototype upgrade system on ZEUS was built and tested and gating parameter settings were determined that successfully separated the NaI and CsI signals. Phase II required establishing a LabVIEW software interface with Pixie-4 electronics in lieu of the manufacturer provided Pixie-4 software called the Pixie Viewer. In addition, phase II included 1) final optimization of the gating parameters on the prototype Pixie-4 ZEUS system, 2) finalizing Requirements, Design and Test Plan documents, 3) LabVIEW software interface quality assurance (QA) testing, 4) setting up the HERCULES system with the Pixie-4 upgrade electronics, 5) check source and background calibration of both systems, 6) absolute efficiency determination on both systems and 7) procedure revisions and implementation of both systems into routine operations. In 2017 phase II was completed including the preparation of detailed Requirements, Design and Test Plan documents. The LabVIEW interface software that communicates and controls the Pixie-4 has been completed, merged with the preexisting LabVIEW operations software and fully tested. Gating parameter optimization, configuration of HERCULES with the Pixie-4 electronics, check source and background calibrations and absolute efficiency determinations have all been performed - quantitative results are presented in the full paper. For performance validation, comparison measurements of actual GIC bags on both the HERCULES system using the old NIM Bin electronics and the ZEUS system using the upgraded Pixie-4 electronics have been done and evaluated. Finally, procedure revisions and implementation of both systems into routine operations is currently in process and planned to be complete by the end of calendar year 2017. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

R and DE Robotic Sensor Intern Team: Advanced Sensor Suite Prototype

The Department of Energy (DOE) nuclear complex includes many hazardous and challenging environments that must be inspected remotely and routinely for structural integrity evaluation and long-term planning purposes. The H-Canyon Air Exhaust (HCAEX) Tunnel is an example of such an environment where a biannual inspection is currently performed. Presently inspections are performed by teleoperated robotic crawlers which provide low-res video feedback to the structural engineers. Advanced sensors: including Lidar and panospheric hi-res cameras have the potential to provide additional valuable data in future inspections. The primary goal of the sensor suite is to provide an internal 3D map of the HCAEX tunnel. Possible sensors were a stereo camera, a 3D Lidar, or a 2D Lidar that would need to be spun around. The issues with the stereo camera were that it does not have a large field-of-view and that its depth information was not nearly as accurate as even the baseline Lidars. The Hokuyo UTM-30LX-EW shown below provides a 270 deg. FOV with high accuracy and resolution while the largest FOV on a 3D Lidar is 40 deg. This was the reason a 2D Lidar was chosen over the 3D Lidar. Even though the 2D Lidar requires additional components and software to generate a 3D map, its FOV advantage is too great given that the HCAEX tunnel is a relatively confined space. Along with the Lidar, a camera sensor, IMU sensor, pan-tit unit, and on board computer needed to be identified. The two panospheric cameras allow for full 360 deg. FOV. The IMU will give data on the state of the robot inside the tunnel. The computer is used to gather and process data on board and to control the pan-tilt system. Mounts were designed and 3D printed to build the prototype of the sensor suite. It was designed to have the Lidar on top With its full FOV free while having the camera below and as close to together as possible while still leaving much of their FOV visible. The design also managed the cables such that they were unlikely to be damaged if in tension and so that they did not intrude much on the cameras vision. The sensor tree developed for the H-Canyon tunnel inspection project produces a large quantity of camera and Lidar data. a postprocessing pipeline was created to facilitate the analysis of these data. The pipeline follows the following routine: 1) Registration - Salient local features in subsequent scans are identified and used to align the scans With one another. This allows production of a single cohesive map of the tunnel. 2) Sensor Fusion - RGB camera data is 'painted' onto the depth data created by the Lidar. 3) Segmentation - Individual surfaces from within the scene are segmented out separately for individual analysis. 4) Degradation Analysis - Automatic mapping of local deviation from the plane in position or surface normal is performed, as is detection of exposed rebar using Lidar return intensity. 2) Obstacle Detection - Lidar data is also used in real time to detect obstacles in the environment. This could give feedback to the operator to successfully drive in the tunnel. 6) Graphic User Interface - a custom GUI was created to facilitate customer use of the system. The system provides real-time feedback from both the cameras and Lidar. The Lidar point-cloud data is also used for obstacle detection. As the Lidar spins, various algorithms are run to analyze the current 'slice' and obstacles in the environment are determined and registered on a cost-map. A Graphical User Interface (GUI) was developed to allow the user to easily command the crawler to set the rotational speed of the Lidar, perform a scan, and register and save the 3D generated cloud after a scan is done. For the good of the crawler, a critical aspect of the GUI design is to allow the user to cancel a scan any time after it is commanded and before it is saved. The sensor trees depth accuracy was evaluated in comparison to a high end commercial FARO Terrestrial Laser Scanner (TLS) with specifications for millimeter accuracy at distances above 10 m. For the purposes of these tests, the depth measurements produced by the TLS were taken as ground truth. Example test wall panels were scanned with the TLS and postprocessed with its proprietary software, and subsequently scanned with the sensor tree system. The two scans were manually aligned and for each point in the output cloud from the sensor tree, the distance to the nearest ground truth point in the FARO cloud was determined. 98.7% of all produced points were within the specified target range of 6 mm, with an average deviation of 1.75 mm. The test walls used have an overall in-wall depth variation of around 40 mm.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Determination of a Generic Human Error Probability Distribution, Part 1: A Dynamic Formulation of SPAR-H

In almost all major nuclear power plants (NPP) events include a significant human error component. As an example, in Fukushima Daiichi (2011) nuclear meltdown, the human actions related to the high-pressure injection cooling strongly affected accident evolution. Furthermore, in the Three Mile Island accident (1979) (which was initiated by a stuck open valve and thus was triggered a loss of coolant accident) the unit operators made decisions based upon false assumptions that contributed negatively to the accident. Given these premises, the ability to accurately model human interactions with plant evolution and, in particular, dynamically calculate human error probability (HEP) plays a major role in a probabilistic risk analysis (PRA). Human reliability analysis (HRA) identifies and models the causes of human errors, and quantifies HEP by applying different methodologies. HRA methods identify errors and reflect on the understanding of error-prone people and systems. There are a number of HRA methods available that assist in identifying the vulnerabilities in the system and provide guidance in determining the HEP. HEP is the probability of a human failure event (HFE), and quantification of HEPs under various situations is utilized in PRA of large complex systems. One of the more prominent HRA methods is the Standardized Plant Analysis Risk-Human Reliability Analysis (SPAR-H) method that was developed to estimate HEPs for the use in the Standardized Plant Analysis Risk (SPAR) PRA models employed in U.S. NPPs. SPAR-H is implemented in U.S. NPPs by regulators at the U.S. Nuclear Regulatory Commission (NRC) to determine the HEP based on expert estimation through the use of calculation worksheets. In SPAR-H, the nominal HEPs (NHEPs) are multiplied by performance shaping factors (PSF) multiplier values to obtain the overall error probability. PSFs encompass the human components, individual characteristics, their environment, and aspects of the task. With PSFs, the goal is to capture all factors that can affect human performance. In SPAR-H there are eight PSFs used, each having respective levels corresponding to multipliers: Available Time, Stress/Stressors, Complexity, Experience/Training, Procedures, Ergonomics/Human Machine Interface, Fitness for Duty, and Work Processes. The PSF multipliers indicate enhanced, nominal, or degraded human performance. The SPAR-H method estimates the HEP through multiplying a NHEP with PSFs. Hence, SPAR-H is a traditional HRA method that assesses human performance at a fixed, or static, point in time. In a dynamic HRA framework, human performance is assessed on a continuous time basis. SPAR-H can be used within a dynamic PRA framework through the use of simulation and stochastic models. The goal of dynamic HRA is to build a more realistic model of the human-system interaction to enhance calculation of reliability, risk and safety analysis. The progression of events in dynamic SPAR-H considers that some PSFs may experience gradual change, while other change can be sudden due to individualistic differences or rapid plant status changes. The PSF changes are caused by contextual changes in the scenario. For example, as more time passes, the realization that a task should be completed sooner may cause the operator more stress. In another example, a sudden relay of information about sickness of a family member may alter the operator's general stress level and fitness for duty. Each PSF has a different dynamic nature; PSFs like stress and complexity change more quickly over the course of a task than experience and training. While the experience of an operator changes over the course of attaining the objective, the amount that this added experience changes the HEP is very minimal. In contrast, the stress, complexity, and procedures PSFs may change quite a bit over the course of task completion.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

MITR RELAP5 Model Validations at Steady States and Transients

The Massachusetts Institute of Technology Reactor (MITR-II) is a 6 MW university research reactor designed primarily for experiments using neuron beams and in-core irradiation facilities, and education. The objective of this study is to validate the MITR RELAP5 model, which includes the reactor core, primary coolant loop, secondary coolant loop and heat exchanger models. Two sets of operational data were collected for validation. Steady-state data for 1 MW, 3 MW, 5.5 MW was obtained in the first test. The continuous startup transient data and the cooling tower outlet coolant temperature reduction obtained during the second test. The five steady-state conditions and two transient conditions were calculated by the RELAP5. The reactor power and cooling tower outlet temperature were used as boundary conditions while the reactor core inlet temperature and outlet temperature were calculated. A comparison was made between the modeling results and the temperature measurements. The results show that the MITR RELAP5 modeling results are in good agreement with measurement data for both steady-state and transient conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2011

Coarse-grained simulations of vortex dynamics and transition in complex high-Re flows

Turbulent flow complexity in applications in engineering, geophysics and astrophysics typically requires achieving accurate and dependable large scale predictions of highly nonlinear processes with under-resolved computer simulation models. Laboratory observations typically demonstrate the end outcome of complex non-linear three-dimensional physical processes with many unexplained details and mechanisms. Carefully controlled computational experiments based on the numerical solution of the conservation equations for mass, momentum, and energy, provide insights into the underlying flow dynamics. Relevant computational fluid dynamics issues to be addressed relate to the modeling of the unresolved tlow conditions at the subgrid scale (SGS) level - within a computational cell, and at the supergrid (SPG) scale - at initialization and beyond computational boundaries. SGS and SPG information must be prescribed for closure of the equations solved numerically. SGS models appear explicitly or implicitly as additional source tenns in the modified flow equations solved by the numerical solutions being calculated, while SPG models provide the necessary set of initial and boundary conditions that must be prescribed to ensure unique well-posed solutions. From this perspective, it is clear that the simulation process is inherently determined by the SGS and SPG information prescription process. On the other hand, observables in laboratory experiments are always characterized by the finite scales of the instrumental resolution of measuring/visualizing devices, and subject as well to SPG issues. It is thus important to recognize the inherently intrusive nature of observations based on numerical or laboratory experiments. Ultimately, verification and validation (V & V) frameworks and appropriate metrics for the specific problems at hand are needed to establish predictability of the simulation model. Direct numerical simulation (DNS) - resolving all relevant space/time scales, is prohibitively expensive in the foreseeable future for most practical flows of interest at moderate-to-high Reynolds number (Re). On the other end of the simulation spectrum are the Reynolds-Averaged Navier-Stokes (RANS) approaches - which model the turbulent effects. In the coarsegrained large eddy simulation (LES) strategies, the large energy containing structures are resolved, the smaller structures are filtered out, and unresolved SGS effects are modeled. By necessity - rather than choice, LES effectively becomes the intermediate approach between DNS and RANS. Extensive work has demonstrated that predictive simulations of turbulent velocity fields are possible using a particular LES denoted implicit LES (ILES), using the class of nonoscillatory finite-volume (NFV) numerical algorithms. Use of the modified equation as framework for theoretical analysis, demonstrates that leading truncation tenns associated with NFV methods provide implicit SGS models of mixed anisotropic type and regularized motion of discrete observables. Tests in fundamental applications ranging from canonical to very complex flows indicate that ILES is competitive with conventional LES in the LES realm proper - flows driven by large scale features. High-Re flows are vortex dominated and governed by short convective timescales compared to those of diffusion, and kinematically characterized at the smallest scales by slender worm vortices with insignificant internal structure. This motivates nominally inviscid ILES methods capable of capturing the high-Re dissipation dynamics and of handling vortices as shocks in shock capturing schemes. Depending on flow regimes, initial conditions, and resolution, additional modeling may be needed to emulate SGS driven physics, such as backscatter, chemical reaction, material mixing, and near-wall flow-dynamics - where typically-intertwined SGS/SPG issues need to be addressed. A major research focus is recognizing when additional explicit models and/or numerical treatments are needed and ensuring that mixed explicit and implicit SGS models can effectively act in collaborative rather than interfering fashion. We survey our present understanding of the theoretical basis of lLES, including connections with the classical LES and finite-scale dynamics perspectives. Examples from recent lLES studies are presented, including canonical turbulence test cases and shock driven turbulence; relevant V & V issues are demonstrated in this context.

58 GEOSCIENCES↗
DOE OSTI2017

Internal Nozzle Flow Simulations of Gasoline-Like Fuels under Diesel Operating Conditions

Spray formation in internal combustion engines with direct injection is strictly correlated with internal nozzle flow characteristics, which are in turn influenced by fuel physical properties and injector needle motion. This paper pre-sents a series of 3D simulations that model the in-nozzle flow in a 5-hole mini-sac diesel injector. Two gasoline-like naphtha fuels, namely full-range and light naphtha, were tested under operating conditions typical of diesel applica-tions and were compared with n-dodecane, selected from a palette used as diesel surrogates. Validated methodolo-gies from our previous work were employed to account for realistic needle motion. The multi-phase nature of the problem was described by the mixture model assumption with the Volume of Fluid method. Cavitation effects were included by means of the Homogeneous Relaxation Model and turbulence closure was achieved with the Standard k-ε model in an Unsteady Reynolds-Averaged Navier-Stokes formulation. The results revealed that injector perfor-mance and propensity to cavitation are influenced by the fuel properties. Analyses of several physical quantities were carried out to highlight the fuel-to-fuel differences in terms of mass flow rate, discharge coefficients, and fuel vapor volume fraction inside the orifices. A series of parametric investigations was also performed to assess the fuel response to varied fuel injection temperature, injection pressure, and cross-sectional orifice area. For all cases, the strict correlation between cavitation magnitude and saturation pressure was confirmed. Owing to their higher volatil-ity, the two gasoline-like fuels were characterized by higher cavitation across all the simulated conditions. Occur-rence of cavitation was mostly found at the needle seat and at the orifice inlets during the injection event’s transient, when very small gaps exist between the needle and its seat. This behavior tended to disappear at maximum needle lift, where cavitation was absent for all fuels. Differences in mass flow rate between the naphtha fuels and n-dodecane were measured and ascribed to the different densities of the three fuels. Nevertheless, they were found to be smaller than expected, owing to the lower viscosity of the gasoline-like fuels. This beneficial influence of the lower viscosity was shown to be less effective at higher temperature, where the relative viscosity differences de-creased.

Torelli, R.↗
DOE OSTI2022

Effect of fuel composition and EGR on spark-ignited engine combustion with LPG fueling: Experimental and numerical investigation

This paper presents an experimental and numerical investigation of a spark-ignited (SI) cooperative fuel research (CFR) engine fueled with different liquefied petroleum gas (LPG) fuels and exhaust gas recirculation (EGR). Here, the effects of LPG fuel composition on engine combustion characteristics are initially evaluated at two different compression ratios (CR). Results show normal combustion at CR 7 and heavy knocking combustion at CR 10 for all the tested fuels, with a more substantial impact for the LPG fuel with high proportions of n-butane species. The Livengood-Wu (LW) integral method is then used to analyze the knock occurrence risk of individual fuel based on the reactivity of the tested fuels. The introduction of EGR then demonstrates the potential of knock intensity reduction below the borderline knock limit. A zonal-based kinetic interactions study is also performed to understand the knock mitigation effectiveness of EGR over the pressure–temperature domain relevant to SI engine operation. Finally, a multidimensional, computational fluid dynamics (CFD) simulation model is shown to predict the LPG combustion characteristics and presents the evolution of in-cylinder temperature and chemical species to demonstrate the development of end-gas autoignition events without and with EGR.

02 PETROLEUM↗
DOE OSTI2013

Engineering Nanowire n-MOSFETs at $L_{g}<8~{\rm nm}$

As metal-oxide-semiconductor field-effect transistors (MOSFETs) channel lengths ( Lg ) are scaled to lengths shorter than Lg <; 8 nm source-drain tunneling starts to become a major performance limiting factor. In this scenario, a heavier transport mass can be used to limit source-drain (S-D) tunneling. Taking InAs and Si as examples, it is shown that different heavier transport masses can be engineered using strain and crystal-orientation engineering. Full-band extended device atomistic quantum transport simulations are performed for nanowire MOSFETs at Lg <; 8 nm in both ballistic and incoherent scattering regimes. In conclusion, a heavier transport mass can indeed be advantageous in improving ON-state currents in ultrascaled nanowire MOSFETs.

Engineering↗
DOE OSTI2012

Air Pathway Modeling of the E-Area Low-Level Waste Facility at the Savannah River Site - 12253

This investigation was initiated to address a concern expressed by the Department of Energy's Low Level Waste Disposal Facility Federal Review Group (LFRG) Review Team during their review of the 2008 E-Area Performance Assessment (PA). The concern was the potential for overlapping of atmospheric plumes, emanating from the soil surface above SRS LLW disposal facilities within the E-Area, to contribute to the dose received by a member of the public during the Institutional Control (IC) period. The implication of this concern was that the dose to the maximally-exposed individual (MEI) located at the SRS boundary might be underestimated during this time interval. To address this concern a re-analysis of the atmospheric pathway releases from E-Area was required. A new atmospheric release model (ARM) capable of addressing the LFRG plume overlap concern was developed. The conceptual approach to assessing the atmospheric dose to a member of the public from E-Area LLW disposal facilities is to perform sub-surface simulations of the release of volatile radionuclides from the waste zones through the overlying engineered barriers to determine a flux rate at the land surface. Then, atmospheric dispersion of the radionuclide flux is simulated in an atmospheric transport model to compute air concentrations in the vicinity of the hypothetically exposed individual. A re-analysis of atmospheric dispersion portion of the atmospheric pathway releases was not undertaken, however the Dose Release Factors (DRF's) previously computed in a atmospheric transport study were retained to convert the new surface emanation fluxes (computed with the ARM) into doses received by the MEI at the appropriate points of compliance (POC). In this way, the dose received by the MEI could be compared to the maximum permissible dose level, defined in DOE Order 435.1 as being 100 uSv/yr (10 mrem/yr). The main conclusion of this study is that for atmospheric releases from the E-Area disposal facilities, plume overlap does not cause the total dose to the MEI at the SRS boundary during IC to exceed the PA performance objective. This conclusion directly addresses the LFRG PA review team issue. Furthermore, even though the LFRG comment did not express concern for such overlap to occur during the post-Closure period, applying the 100% plume overlap strategy to atmospheric releases during this period also demonstrates that the PA performance objective for the MEI will also not be exceeded during that time-frame either. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Multidisciplinary design optimization in Architecture, Engineering, and Construction: a detailed review and call for collaboration

The design of buildings has become a complex and multidisciplinary problem involving multiple conflicting objectives as architects and designers address competing technical, economic, environmental, and societal concerns. This has been driving research in Architecture, Engineering, and Construction (AEC) toward rigorous multidisciplinary decision-making frameworks that generate and evaluate numerous design alternatives using multi-objective optimization in concert with simulation and analysis models of varying fidelity and computational expense. While such frameworks are well known and widely employed in the aerospace and systems engineering domains, efforts by design professionals and researchers in the AEC field are scattered at best. In this paper, we provide a detailed review of recent developments in optimization frameworks in the AEC field and subsequently highlight how such developments are largely compartmentalized into separate domains such as structural, energy, daylighting, and other performance factors. Herein, we further discuss the technical challenges involved in concurrent coupled multidisciplinary design optimization (MDO) in the AEC field such as interoperability issues between Building Information Modeling (BIM) environments, analysis/simulation tools, and optimization frameworks. We conclude by outlining research needed for more unified modeling and simulation-based optimization frameworks to aid in complex and multidisciplinary building design processes. We also highlight the need for the identification and development of multi-fidelity simulation tools for use across multiple design phases. As such, this paper contributes a novel roadmap to leverage aerospace and systems engineering research in MDO into the field of AEC, along with a call for researchers in the MDO community to seek collaborations in AEC field.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

Comparison of experimental and simulation results on interior subchannels of a 61-pin wire-wrapped hexagonal fuel bundle

As part of a joint U.S. Department of Energy project, Framatome, Argonne National Laboratory, Terrapower, and Texas A&M University have collaborated to produce experimental data and computational results to characterize the flow behavior of a 61-pin wire-wrapped hexagonal fuel bundle. Here, comparisons are made between Texas A&M’s experimental particle image velocimetry velocity field measurements and Argonne National Laboratory’s large-eddy simulation results in an interior subchannel for a Reynolds number of 19,000. It can be concluded that the shape and magnitude of the mean vertical velocity component is in excellent agreement for the selected horizontal line plots. Maximum relative errors are less than 10% until the subchannel walls are approached. Finally, the shape and, to a lesser extent, magnitude of the mean horizontal velocity component is in satisfactory agreement between the particle image velocimetry and large-eddy simulation results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

A Simulation Framework for Battery Cell Impact Safety Modeling Using LS-DYNA

The development process of electrified vehicles can benefit significantly from computer-aided engineering tools that predict themultiphysics response of batteries during abusive events. A coupled structural, electrical, electrochemical, and thermal model framework has been developed within the commercially available LS-DYNA software. The finite element model leverages a three-dimensional mesh structure that fully resolves the unit cell components. The mechanical solver predicts the distributed stress and strain response with failure thresholds leading to the onset of an internal short circuit. In this implementation, an arbitrary compressive strain criterion is applied locally to each unit cell. A spatially distributed equivalent circuit model provides an empirical representation of the electrochemical responsewith minimal computational complexity.The thermalmodel provides state information to index the electrical model parameters, while simultaneously accepting irreversible and reversible sources of heat generation. The spatially distributed models of the electrical and thermal dynamics allow for the localization of current density and corresponding temperature response. The ability to predict the distributed thermal response of the cell as its stored energy is completely discharged through the short circuit enables an engineering safety assessment. A parametric analysis of an exemplary model is used to demonstrate the simulation capabilities.

25 ENERGY STORAGE↗