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DOE OSTI2020

Using the Carbon Capture Simulation Initiative (CCSI) Tool to Design the Experiments in the Parametric Campaign of a Novel Compact Absorber for Carbon Capture

Gas absorption towers with structured packing and solvent have been used for Carbon Dioxide (CO 2 ) Capture for about many decades. To overcome process limitations and practical disadvantages for CO 2 capture from the stationary emitter (e.g. NG and coal power plant), many new designs have been proposed and explored at the various scales in the last decade with aim of either low energy penalty or low capital cost. To reduce the size of the absorption tower and hence the total cost of CO 2 capture, the University of Kentucky Center for Applied Energy Research Center (UK CAER) has designed and built a novel CO 2 capture absorption tower or Compact Absorber, integrated into an existing large-bench scale CO 2 capture unit. The Compact Absorber has three sections. The top of the column is a fogging section where the solvent is sprayed through a nozzle producing droplets flowing downward in a co-current fashion with the flue gas. The center of the column is a frothing section where the solvent and flue gas flow through regenerative frothing screens designed by Industrial Climate Solutions, Inc. The bottom of the column is a typical structured packing section were the flue gas and solvent flow in a counter-current fashion. The parametric campaign will be conducted in order to optimize the operating parameters for CO 2 capture including liquid/gas ratio, lean loading, and temperature, liquid residence time. A simulated flue gas with 14% CO 2 will be used along with a UK CAER developed proprietary solvent. The 100-hour parametric campaign is designed using a statistical approach of the Sequential Design of Experiments (sDOE). sDOE is one of the CCSI tools that provides an adaptive statistical approach for designing future experiments based on the results of previous experiments. Application of a typical DOE provides the user with the minimum number of experiments required to get the same data, but sDOE allows the user to make an informed choice of experiments based on the results of previous experiments. The complete absorption column has been constructed and has been partially commissioned. Initial data has been collected by operating using the fogging section and the frothing section. The fogging section produces solvent droplets of about 100 μm sauter mean diameter and as small as 25 μm using a hydraulic nozzle by BETE. The frothing section produces bubbles of about 5mm with high mixing of solvent promoting the higher mass transfer from gas to liquid. The absorber reaches the capture efficiency of about 50% with only two sections in operation. Based on the current results, it can be deduced that increasing the solvent feed temperature and including the packed section for absorption the capture efficiency will increase further. Initial data will be collected using all three sections of the absorber and will be used for sDOE. Non-Uniform Space Filling model of sDOE will be used to prioritize the input conditions resulting into maximum capture efficiency. sDOE is performed using the platform called Framework Optimization, Quantification of Uncertainty, and Surrogates (FOQUS). The method and results demonstrating the progress of the parametric campaign from the initial set of experiments to the final stage of obtaining optimized parameters using sDOE tool will be presented in detail.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2025

Machine learning-driven design and self-sensing capabilities of automotive bumper lattices for adaptive impact response

We present a novel approach to design an automotive bumper energy absorber using carbon fiber reinforced polymer composites, optimized to meet conflicting performance requirements for two distinct impact scenarios. The design must satisfy both a low-speed (2.5 mph) pendulum intrusion test, simulating vehicle-to-vehicle collisions, and a high-speed (25 mph) leg flexion test, replicating pedestrian impacts. These tests demand opposing deformation characteristics: high flexibility (deformation < 85 mm) for the former and high stiffness (deformation < 22 mm) for the latter. To address these contradictory requirements, we developed a machine learning (ML) framework for inverse optimization of lattice designs and material selection. Unlike traditional iterative design processes, our ML model directly outputs optimal design parameters and material choices based on target performance inputs. The energy absorber was fabricated using advanced additive manufacturing techniques, including extrusion deposition and digital light processing. The integration of carbon fibers provides multifunctionality to the bumper structure, enabling self-sensing capabilities through changes in electrical resistivity under compression. This electrical response demonstrates high repeatability under multiple cycles at 2% compression and exhibits distinct signatures during crack formation under high deformation. This research offers adaptive performance through innovative design methodologies and smart material integration. The approach has potential applications in various fields requiring adaptive energy absorption and real-time structural health monitoring.

Chawla, Komal [ORNL] (ORCID:0000000190327565)↗

DOE OSTI2021

CIGS photovoltaics: reviewing an evolving paradigm

Copper indium selenide chalcopyrite-structure alloys with gallium (CIGS) are unique among the highest performing photovoltaic (PV) semiconductor technologies. They are structurally disordered, nonstoichiometric materials that have been engineered to achieve remarkably low bulk nonradiative recombination levels. Nevertheless, their performance can be further improved. This review adopts a fundamental thermodynamic perspective to comparatively assess the root causes of present limitations on CIGS PV performance. The topics of selectivity and passivation of contacts to CIGS and its multinary alloys are covered, highlighting pathways to maximizing the electrochemical potential between those contacts under illumination. Further, an overview of absorber growth methods and resulting properties is also provided. We recommend that CIGS researchers consider strategies that have been successfully implemented in the more mature wafer-based GaAs and Si PV device technologies, based on the paradigm of an idealized PV device design using an isotropic absorber with minimal nonradiative recombination, maximal light trapping, and both electron-selective and hole-selective passivated contacts. We foresee that CIGS technology will reach the 25% efficiency level within the next few years through enhanced collection and reduced recombination. To significantly impact power-generation applications, cost-effective, manufacturable solutions are also essential.

14 SOLAR ENERGY↗

DOE OSTI2023

Pressurized Water Reactor Gadolinia Pin Location Optimization

This report presents the results of lattice optimization studies performed to find optimum locations for gadolinia burnable absorber (BA) rods in pressurized water reactor (PWR) lattice fuel designs. Initial excess reactivity suppression allows core designers to further improve operational economics by extending cycle length. Gadolinia BAs are commonly used in boiling water reactor assembly designs for this purpose. In recent years, gadolinia absorbers have been used in PWR designs owing to their longer effectiveness for reactivity suppression compared with common BAs used in PWR assemblies. This report examines the optimum gadolinia pin placement in 17 × 17 PWR lattices at different fuel and gadolinia concentrations for optimized lattice performance, using the SCALE/Polaris lattice physics code. The completed work is continuation of the Light Water Reactor LEU+ Lattice Optimization (ORNL/TM-2021/2366) project. An optimization driver called the metaheuristic optimization tool (MOT) is used to automate domain space exploration and optimization of the lattice designs. Heuristics from previous light-water reactor (LWR) lattice optimization studies were used to construct the objective function and define the domain space for optimization. This work successfully demonstrated that the optimization algorithms of MOT can generate feasible, nonproprietary PWR lattice designs with gadolinia.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Innovative control mechanism for research and test reactors using mandrel-shaped control rods

Research and test reactors have historically played a pivotal role in supporting the initial development of nuclear reactors. They continue to provide essential data for enhancing fuel designs and material knowledge. However, with many such reactors aging and the growing demand for data to bolster advanced reactor development, it is more necessary to research potential design attributes of the next generation of research and test reactors. For test reactors dedicated to fuel and material testing, the design of control mechanisms significantly influences the stabilization of neutron flux levels in irradiation positions while sustaining criticality. This study presents an innovative control mechanism for potential research and test reactor designs. It employs small absorber rods that move in opposite axial directions to maintain axial symmetry of power and neutron flux during burnup cycles. These rods maximize reactivity worth while also offering flexibility to flatten the radial power distribution. An axial translation of the control mechanisms’ absorbers, as compared to the rotational movement of absorbers in control cylinders, also provides a benefit to available excess reactivity and cycle length. Additionally, this work utilizes a simplified core model of the Advanced Test Reactor to assess the performance of this control mechanism. Compared to the current control system based on rotating control cylinders, the new control mechanism has the potential to enhance, or at least maintain, neutronic performance parameters in this reactor design.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

ECAR-7514 Rev 0 Analysis of the MARVEL Central Insurance Absorber Actuator Components

This ECAR analyzes the MARVEL Central Insurance Absorber (CIA) rod actuator design. Functions of interest include general vertical position, velocity, and SCRAM performance when carrying the CIA rod payload. Assessed components include the motor, drive train, electromagnet, bearings used for alignment and SCRAM velocity control, limit switches, 2nd position indicator, and resolver.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

DOE OSTI2023

Preliminary Design of Critical Experiments Involving Commercially Available B 4 C Neutron Absorber Plates with Low-Enriched UO 2 Fuel

The International Criticality Safety Benchmark Evaluation Project (ICSBEP) is an initiative to provide high-quality benchmark data in a standardized format for criticality safety analysts to use to validate calculational tools and nuclear data. In the last released 2022 version, the ICSBEP handbook contains over 5,000 critical experiment descriptions, results, and associated models. This paper describes the critical configurations proposed and calculations performed as part of the conceptual design phase of Integral Experiment Request (IER) 554 (IER-554). The goal of IER-554 is to add to the benchmark experiments available to the criticality safety community by designing critical experiments that can analyze how adding commercially available Boralcan plates to an assembly of low-enriched UO2 fuel rods affects the effective neutron multiplication factor (k eff ). Boralcan, a neutron absorber product developed by Rio Tinto, is made of B4C in an Al 1100 matrix and is commonly used for criticality suppression in fuel storage pools. In the current version of the ICSBEP handbook, only a few dated critical experiments involve B4C materials, and none involve Boralcan in a thin plate shape. The experiments designed as part of IER-554 are intended to be performed at the Sandia Pulsed Reactor Facility/Critical Experiments (SPRF/CX) apparatus at Sandia National Laboratories. SPRF/CX is a well-characterized assembly considered trustworthy by the benchmarking community because of the numerous high-quality evaluations with very low experimental uncertainties included in the ICSBEP handbook. Figure 1 illustrates the assembly for a particular configuration from LCT-078, one of the published benchmarks in the ICSBEP handbook. The experiments will be moderated and reflected by light water at ambient atmospheric pressure. Before the plates are inserted in the critical assembly, they will be characterized with x-ray computed tomography (XCT) to identify the sizes and distribution of the B 4 C powder particles inside the plates. The preliminary design calculations were performed with SCALE 6.3.0 using the KENO V.a sequence for the criticality calculations, the CE-TSUNAMI-3D sequence for the sensitivity and uncertainty studies, and the ENDF/B-VII.1 Continuous Energy cross section library. All the calculation results presented have 10 pcm statistical uncertainties. A set of critical experiments with Boralcan plates could increase the confidence of the criticality safety community in its modeling methods when using this type of neutron absorber material. Experiments would also help validate k eff calculations, and the industry could use these validations to change the B loading credit limits from the US Nuclear Regulatory Commission standard review plan for dry cask storage of spent nuclear fuel. This paper summarizes only part of the analysis documented in the preliminary design report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Deep Learning and Natural Language Processing for Accelerated Inverse Design of Optical Metamaterials

Optical metamaterial device design has enjoyed a long track of success over the past 50 years leading to the manipulation of light over a wide range of wavelengths spanning the ultraviolet to the far infrared. The manipulation of light over such wavelengths has already led to many technological advancements such as the design of selective radiative absorbers for solar energy, daytime passive cooling using deep space, and optical invisibility cloaks for defense applications. Further disruptive advancements in energy, defense, computing, and biomedical fields could be enabled or enhanced by future optical metamaterial devices. These technologies could lead to increased energy efficiency and hence reduced national primary energy consumption, cheap long duration energy storage, and next generation solid-state heat engines. But historically the methods to invent and develop all of these devices have been time- consuming and based mostly on intuition and iteration. Finding an optimal design can take years.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Deep Learning and Natural Language Processing for Accelerated Inverse Design of Optical Metamaterials

36 MATERIALS SCIENCE↗

DOE OSTI2022

Numerical study of advanced solar receiver tubes based on a coupled thermo-mechanical analysis for concentrated solar power tower plant

The search for more sustainable energy to match the growing energy demand begins with finding more dispatchable resources such as solar energy. As one of the promising solar technologies, concentrated solar power (CSP) has a full capacity to store thermal energy for extended operation. Nevertheless, some key components in CSP systems usually face extreme environment, such as uneven solar flux, cyclic thermal expansion, structural degradation on the solar absorber tubes in a Concentrated Solar Power Tower (CSPT) Plant. In this study, we applied Multiphysics simulation to explore the benefits of introducing optimized fins for heat transfer enhancement and uniform temperature distribution, the goal is to improve the thermal efficiency of such advanced solar absorber tubes. The results of this study can supply design guidance for the manufacturing process of absorber tubes, and eventually can benefit the solar energy community for the next generation of molten salt based CSP system.

14 SOLAR ENERGY↗

DOE OSTI2022

Distant Observer™ [SWR-12-09]

Distant Observer™ (DO) is an optical measurement tool, designed for parabolic trough solar collectors, that determines reflector slope error, absorber position error, and the combined errors based on images of the receiver-tube reflection taken from different angles. We have demonstrated that DO can provide a measurement accuracy of 0.25 mrad for the slope and receiver position errors. DO has two implementation versions: ground-based and drone-driven. As we pursue efforts to lower the capital and installation costs of parabolic trough solar collectors, it is essential to maintain high optical performance. The Distant Observer™ (DO) tool, developed by engineers at NREL, is a fast and highly accurate tool that provides complete characterization of the performance of the optical components which include the mirror panels and thermal receiver. This tool is very useful for testing both prototype and operational modules. The Distant Observer™ is an optical measurement tool for parabolic solar collectors that measures reflector slope error, absorber position error and the combined errors. Reflector slope errors occur for many reasons including imperfection in structural frame design, manufacturing and assembly. Absorber position error can be caused by poor structural design, poor installation, sag from the absorber weight, or change in the structure over time.

Ihas, Benjamin↗

DOE OSTI2023

Near-infrared absorbing acceptor with suppressed triplet exciton generation enabling high performance tandem organic solar cells

Reducing the energy loss of sub-cells is critical for high performance tandem organic solar cells, while it is limited by the severe non-radiative voltage loss via the formation of non-emissive triplet excitons. Herein, we develop an ultra-narrow bandgap acceptor BTPSeV-4F through replacement of terminal thiophene by selenophene in the central fused ring of BTPSV-4F, for constructing efficient tandem organic solar cells. The selenophene substitution further decrease the optical bandgap of BTPSV-4F to 1.17 eV and suppress the formation of triplet exciton in the BTPSV-4F-based devices. The organic solar cells with BTPSeV-4F as acceptor demonstrate a higher power conversion efficiency of 14.2% with a record high short-circuit current density of 30.1 mA cm –2 and low energy loss of 0.55 eV benefitted from the low non-radiative energy loss due to the suppression of triplet exciton formation. We also develop a high-performance medium bandgap acceptor O1-Br for front cells. By integrating the PM6:O1-Br based front cells with the PTB7-Th:BTPSeV-4F based rear cells, the tandem organic solar cell demonstrates a power conversion efficiency of 19%. The results indicate that the suppression of triplet excitons formation in the near-infrared-absorbing acceptor by molecular design is an effective way to improve the photovoltaic performance of the tandem organic solar cells.

14 SOLAR ENERGY↗

DOE OSTI2022

The Euler characteristic as a basis for teaching topology concepts to crystallographers

The simple Euler polyhedral formula, expressed as an alternating count of the bounding faces, edges and vertices of any polyhedron, V – E + F = 2, is a fundamental concept in several branches of mathematics. Obviously, it is important in geometry, but it is also well known in topology, where a similar telescoping sum is known as the Euler characteristic χ of any finite space. The value of χ can also be computed for the unit polyhedra (such as the unit cell, the asymmetric unit or Dirichlet domain) which build, in a symmetric fashion, the infinite crystal lattices in all space groups. In this application χ has a modified form (χ m ) and value because the addends have to be weighted according to their symmetry. Although derived in geometry (in fact in crystallography), χ m has an elegant topological interpretation through the concept of orbifolds. Alternatively, χ m can be illustrated using the theorems of Harriot and Descartes, which predate the discovery made by Euler. Those historical theorems, which focus on angular defects of polyhedra, are beautifully expressed in the formula of de Gua de Malves. In a still more general interpretation, the theorem of Gauss–Bonnet links the Euler characteristic with the general curvature of any closed space. This article presents an overview of these interesting aspects of mathematics with Euler's formula as the leitmotif. Finally, a game is designed, allowing readers to absorb the concept of the Euler characteristic in an entertaining way.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Production Through Simulation: Using Simulation Technologies to Create and Evaluate Nuclear Fuel Fabrication Facility Designs

This project explores how physics-based and discrete-event simulation technologies can be jointly employed to model a suite of nuclear fuel fabrication facility designs with variable radiological environments, optimize their design to lower operational costs subject to a set of design constraints, and evaluate their performance. Initially, three variants of U-20Pu-10Zr metallic nuclear fuel in three specific geometric configurations are modeled and studied across more than 50 physics simulations in nuclear physics software packages SCALE and Monte Carlo N-Particle Transport (MCNP6.2). From these tests, values for effective dose rate and criticality are recorded for each of the nine alloy-geometry configurations. These values are then incorporated into discrete-event models of fuel fabrication in the simulation program ExtendSim Pro 10 as process attributes. This allows one to track the dose to facility personnel as fuel is fabricated, dually enabling us to evaluate the safety of a given facility design in terms of absorbed dose per worker per year and to craft operational guidelines that adhere to federal and local safety regulations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

P{sub N} source expansion nodal method in MPACT for boiling water reactors

This paper describes the one-node P{sub N}-Source Expansion Nodal Method (SENM) axial solver for the 2D/1D method recently implemented in MPACT to support Boiling Water Reactors (BWR) analysis. Since the BWR has a more complicated design and strong burnable absorber, the existing PN-Nodal Expansion Method (NEM) axial solver in MPACT may not be sufficient to accurately represent the intranodal flux and source profiles for BWRs. The one-node P{sub N}-SENM has been implemented in this work to reduce the axial spatial discretization error for BWRs. From numerical results, we verify that the P{sub N}-SENM can improve the accuracy of the pin power prediction, and confirm that P{sub N}-SENM can use more than a 1.5 times larger axial mesh size than P{sub N}-NEM to have similar accuracy for the BWR GE14 3D assembly problem. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Insights into Designing an Efficient and Reliable Microwave-Assisted Methane Dehydroaromatization Process: Effect of Microwave Absorber on Catalyst Performance

Microwave-assisted methane dehydroaromatization has the potential to address challenges of traditional dehydroaromatization reactions. However, catalysts for microwave-enhanced reaction systems require effective coupling of fields with the catalyst to produce heat and reach reaction temperatures. Here, this work presents an in-depth understanding of the effect of the addition of silicon carbide as a microwave absorber on catalyst performance among other variables, the viability of the microwave reactor configuration, and insights into designing an effective and reliable microwave-based methane dehydroaromatization process. The effect of other parameters including temperature, weight hourly space velocity, role of microwave absorber, and methane concentration during microwave-assisted methane dehydroaromatization reaction are studied. Mo/ZSM-5 was found to suffer from low permittivity and nonuniform heating under microwave conditions. Mixing silicon carbide powder as a microwave absorber with the catalyst was found to provide more uniform heating. When assessing the catalytic performance of the mixture, it was found that higher methane partial pressures at 2000 cc/g cat .h and a temperature range of 500-600°C produced the highest amount of benzene. The formation of graphitic carbon on the spent catalyst increased with temperature, gas-solid contact period, and methane concentration, which resulted in higher methane conversion and benzene selectivity. The study indicates that under microwave heating the presence of localized carbon enhanced catalyst life by coupling with microwave energy, leading to localized heating, and improving benzene selectivity.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2023

Influence on Structural Loading of a Wave Energy Converter by Controlling Variable-Geometry Components and the Power Take-Off

Oceans are harsh environments and can impose significant loads on deployed structures. A wave energy converter (WEC) should be designed to maximize the energy absorbed while ensuring the operating wave condition does not exceed the failure limits of the device itself. Therefore, the loads endured by the support structure are a design constraint for the system. Furthermore, the WEC should be adaptable to different sea states. Herethis work uses a WEC-Sim model of a variable-geometry oscillating wave energy converter (VGOSWEC) mounted on a support structure simulated under different wave scenarios. A VGOSWEC resembles a paddle pitching about a fixed hinge perpendicular to the incoming wave fronts. The geometry of the VGOSWEC is varied by opening a series of controllable flaps on the pitching paddle when the structure experiences threshold loads. It is hypothesized that opening the flaps should result in load shedding at the base of the support structure by reducing the moments about the hinge axis. This work compares the hydrodynamic coefficients, natural periods, and response amplitude operators from completely closed to completely open configurations of the controllable flaps. This work shows that the completely open configuration can reduce the pitch and surge loads on the base of the support structure by as much as 80%. Increased loads at the structure’s natural period can be mitigated by an axial power take-off damping acting as an additional design parameter to control the loads at the WEC’s support structure.

16 TIDAL AND WAVE POWER↗

DOE OSTI2022

Influence on Structural Loading of a Wave Energy Converter by Controlling Variable-Geometry Components and the Power Take-Off

Oceans are harsh environments and can impose significant loads on deployed structures. The deployment of wave energy converters (WECs) faces a design challenge with apparently contradictory goals. A WEC should be designed to maximize the energy absorbed while ensuring the operating wave condition does not exceed the failure limits of the device itself. Therefore, the loads endured by the support structure are a design constraint for the system. Adaptability to different sea states is, therefore, highly desirable. This work uses a WEC-Sim model of a variable-geometry oscillating wave energy converter (VGOSWEC) mounted on a support structure simulated under different wave scenarios. A VGOSWEC resembles a paddle pitching about a fixed hinge perpendicular to the incoming wave fronts. Therefore, the hinge experiences loads perpendicular to its axis as it maintains its position. The geometry of the VGOSWEC is varied by opening a series of controllable flaps on the pitching paddle when the structure experiences threshold loads. Because opening the flaps lets the waves transmit through the paddle, it is hypothesized that opening the flaps should result in load shedding at the base of the support structure. The load shedding is achieved by reducing the moments about the hinge axis. This work compares the hydrodynamic coefficients, natural periods, and response amplitude operators from completely closed to completely open configurations of the controllable flaps. The comparisons quantify the effects of letting the waves transmit through the VGOSWEC. This work shows that the completely open configuration can reduce the pitch and surge loads on the base of the support structure by as much as 80%. It was observed that at the paddle's resonance frequency, the loads on the structure increased substantially. This increase in loads can be mitigated by a rotational power take-off damping about the hinge axis. Changing the rotational power take-off damping was identified as an additional design parameter that can be used to control the loads experienced by the WEC's support structure.

fixed and floating structures↗