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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Challenges in Continuous In-Field Critical Current Testing of High-Temperature Superconducting Tapes: Thermal and Mechanical Perspectives

High-temperature superconductors (HTS) are essential for ultra-high-field applications requiring exceptional current-carrying capacity under extreme conditions. However, systematic characterization of critical current in long-length conductors remains challenging due to complex thermal, electromag netic, and mechanical interactions during continuous testing. This study reports the development of a continuous in-field magnetization testing system for position-dependent critical current measurement in HTS tapes at 20 K under 7.5 T fields applied normal to the tape plane, enabling identification of performance-limiting regions that could compromise magnet stability. Here, the system addresses two fundamental challenges inherent to cryogenic reel to-reel testing. First, thermal management requires continuous cooling of a moving conductor to 20 K, achieved through liquid nitrogen precooling combined with a 100 W@20 K Gifford McMahon cryocooler. Second, screening currents in high fields generate Lorentz forces that induce twisting, bowing, and potential delamination. To mitigate these risks, we propose mechanical reinforcement and active current density suppression strategies. Numerical simulations using the stream function formulation reveal four primary failure modes: frictional heating at guide interfaces, unstable equilibria causing deformation, transverse current-induced stresses at guide transitions, and unsupported forces in vertical spans. Our mitigation strategies include PTFE coated guides to minimize friction, spring-loaded stabilization mechanisms to maintain tape alignment, controlled pre-heating using the liquid nitrogen thermal jacket to suppress critical current at stress points, and optimized guide positioning to minimize force accumulation. The experimental system is nearing completion, with testing planned to commence within two months. Preliminary validation at 65 K under 0.5 T demonstrates strong correlation between simulation-predicted mechanical instabilities and observed critical current variations during conductor tran sitions through the measurement region. These findings establish a robust foundation for quality assurance protocols essential to next-generation superconducting magnet applications.

Chen, Siwei [Princeton Plasma Physics Laboratory (↗
DOE OSTI2025

Preliminary Testing of a Continuous Cryopump for Primary Fusion Device Pumping and Direct Internal Recycling

Here, the concept of directly recirculating fusion machine exhaust gas, bypassing the tritium plant, to make fuel pellets was proposed in the 1990s and later termed direct internal recycling (DIR). In the DIR concept, the residual fusion fuel in the machine exhaust stream is separated from impurities locally and diverted directly to the fueling systems, bypassing isotopic separation and other processing equipment, and therefore significantly reducing the required size of the fuel processing plant, reducing plant inventory, and thus increasing the economic viability of fusion as an energy source. One concept for DIR consists of a series of cryogenic pumps to separate the impurities from the machine exhaust gas using different triple point temperatures and saturation curves of exhaust constituents. In this concept, the plasma exhaust is initially passed through an impurity trap operating at ~25–30 K to desublimate impurities such as hydrocarbons, argon, oxygen, and nitrogen. The resulting process stream will consist of DT fuel and helium. The process stream is then pumped by a continuous cryopump known as a “snail pump.” This pump is a steady-state continuous cryopump that desublimates all remaining exhaust gas constituents while allowing helium, a byproduct of the fusion reaction, to pass through. The helium is pumped to the tritium plant for processing while the desublimated material is continuously scraped off, heated up, and transported to the fueling system. This article will present the cryogenic DIR concept and outline the design and operation of the snail pump, along with results from preliminary testing. Tests to assess pumping and separation efficiency found that at D2 flows below 50.7 Pa ⋅ m3/s with 1% helium, the pump is capable of pumping and separating the gas with a resulting DIR fraction of >99%, with no helium entrained in the primary fuel exhaust stream. The main limitation is due to the thermal performance of the cryogenic circuits of the pump, which will be addressed in future testing.

Gebhart III, Trey E. [Oak Ridge National Laborator↗
DOE OSTI2019

Comparison of Thin Film Heat Flux Gauge Technologies Emphasizing Continuous-Duration Operation

Thin film heat flux gauges (HFGs) have been used for several decades to measure surface temperatures and heat flux in test turbines with the majority being used in facilities that are short-duration. These gauges are typically composed of two resistive temperature devices deposited on opposing sides of a dielectric. However, because these sensors have been traditionally applied for measurements in short-duration, transient-type facilities, the challenges facing adaptation of this technology for a continuous-duration steady facility warrant investigation. Those challenges are highlighted, and solutions are presented throughout the paper. This paper describes the nanofabrication process for heat flux gauges and a new calibration method to address potential deterioration of gauges over long runtimes in continuous-duration facilities. Because a primary uncertainty of these sensors arises from the ambiguity of the thermal properties, special emphasis is placed on the property determination and potential errors due to improper thermal properties. Also, this paper presents a discussion on the use of impulse response theory to process the data showing the feasibility of the method for steady-duration facilities after an initial settling time. The latter portion of the paper focuses on comparing well-established heat flux gauges developed for short-duration turbine test facilities to recently developed gauges fabricated using modern nanofabrication techniques for a continuous turbine test facility. Using a commercially available heat flux gauge, capable of measuring a steady heat flux as a reference, the gauges were compared using the test case of an impinging jet over a range of Reynolds numbers. The comparison between the PSU gauge and the reference device indicated agreement within 14%, and similar results were achieved through comparison with established sensors from partner institutions.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2016

Continuous monitoring of prostate position using stereoscopic and monoscopic kV image guidance

Purpose: To demonstrate continuous kV x-ray monitoring of prostate motion using both stereoscopic and monoscopic localizations, assess the spatial accuracy of these techniques, and evaluate the dose delivered from the added image guidance. Methods: The authors implemented both stereoscopic and monoscopic fiducial localizations using a room-mounted dual oblique x-ray system. Recently developed monoscopic 3D position estimation techniques potentially overcome the issue of treatment head interference with stereoscopic imaging at certain gantry angles. To demonstrate continuous position monitoring, a gold fiducial marker was placed in an anthropomorphic phantom and placed on the Linac couch. The couch was used as a programmable translation stage. The couch was programmed with a series of patient prostate motion trajectories exemplifying five distinct categories: stable prostate, slow drift, persistent excursion, transient excursion, and high frequency excursions. The phantom and fiducial were imaged using 140 kVp, 0.63 mAs per image at 1 Hz for a 60 s monitoring period. Both stereoscopic and monoscopic 3D localization accuracies were assessed by comparison to the ground-truth obtained from the Linac log file. Imaging dose was also assessed, using optically stimulated luminescence dosimeter inserts in the phantom. Results: Stereoscopic localization accuracy varied between 0.13 ± 0.05 and 0.33 ± 0.30 mm, depending on the motion trajectory. Monoscopic localization accuracy varied from 0.2 ± 0.1 to 1.1 ± 0.7 mm. The largest localization errors were typically observed in the left–right direction. There were significant differences in accuracy between the two monoscopic views, but which view was better varied from trajectory to trajectory. The imaging dose was measured to be between 2 and 15 μGy/mAs, depending on location in the phantom. Conclusions: The authors have demonstrated the first use of monoscopic localization for a room-mounted dual x-ray system. Three-dimensional position estimation from monoscopic imaging permits continuous, uninterrupted intrafraction motion monitoring even in the presence of gantry rotation, which may block kV sources or imagers. This potentially allows for more accurate treatment delivery, by ensuring that the prostate does not deviate substantially from the initial setup position.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

TH-CD-209-07: Preliminary Experimental Comparison of Spot- and Continuous Line Scanning with Or Without Rescanning for Gated Proton Therapy

Purpose: We aim to compare the performance of discrete spot- or continuous line scanning combined with rescanning in mitigating residual organ motion during gated proton therapy treatments. Methods: The Quasar respiratory phantom was used to move a 2D scintillation detector on a linear trajectory with sinusoidal motion pattern (sin{sup 4}), 20 mm peak-to-peak amplitude and 5 sec period. Its motion was monitored using a customized solution based on optical tracking technology. We compared spot and line scanning plans for a monoenergetic 150 MeV circular field, 50.4 mm radius at isocenter. Transverse dose distributions at 13 cm depth in PMMA (15.47 mm water equivalent) were measured to compare three options for motion mitigation: rescanning (10× factor), gating and their combination. The gating window was centered in the trajectory plateau to simulate end-exhale gated treatment in presence of 2 mm and 4 mm residual motion, parallel or perpendicular to the primary scanning direction. Results: When the target moves perpendicular to the primary scanning direction, large dose deviations are measured (γ3%/3mm=47%) without mitigation techniques. Beam gating combined with rescanning restores target coverage (γ3%/3mm=91%). For parallel target motion, observed dose distortions in the non-compensated irradiation are smaller (γ3%/3mm=77%). Beam gating alone recovers the 100% gamma pass-rate at 3%/3mm. Continuous line scanning reduces delivery time by up to 60% with respect to discrete spot scanning in presence of motion mitigation, and improves homogeneity when rescanning is applied (up to 20%, perpendicular motion, 4 mm residual motion). Conclusion: The direction of motion has a large impact on the target dose coverage. Nevertheless, even in the worst case scenario, gating combined with rescanning could mitigate the impact of motion on dose deposition. Moreover, continuous line rescanning improves the robustness against residual motion in the gating window. This study has received funding from the European Community’s Seventh Framework Programme (FP7/2007–2013) under grant agreement n.290605 (PSI-FELLOW/COFUND) and ‘Giuliana and Giorgio Stefanini Foundation’.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Modifying the Structure of Multiwalled Carbon Nanotubes with Continuous and Pulsed Ion Beams

Changes in the local atomic and electronic structure and the chemical state of the surface of multiwalled carbon nanotubes (MWCNTs) irradiated with continuous and pulsed ion beams are studied using transmission electron microscopy, X-ray photoelectron spectroscopy, and X-ray absorption near-edge spectroscopy. It is demonstrated that changes in the structure and the chemical state of MWCNTs under continuous irradiation with argon ions are attributable to the radiation-induced defect formation. When a pulsed carbon–proton beam is used, thermal effects exert a considerable influence on the structure of carbon nanotubes. The obtained results suggest that continuous and pulsed ion beams are suitable for targeted functionalization of physical and chemical properties of MWCNTs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2012

The split system approach to managing time in simulations of hybrid systems having continuous and discrete event components

The efficient and accurate management of time in simulations of hybrid models is an outstanding engineering problem. General a priori knowledge about the dynamic behavior of the hybrid system (i.e. essentially continuous, essentially discrete, or 'truly hybrid') facilitates this task. Indeed, for essentially discrete and essentially continuous systems, existing software packages can be conveniently used to perform quite sophisticated and satisfactory simulations. The situation is different for 'truly hybrid' systems, for which direct application of existing software packages results in a lengthy design process, cumbersome software assemblies, inaccurate results, or some combination of these independent of the designer's a priori knowledge about the system's structure and behavior. The main goal of this paper is to provide a methodology whereby simulation designers can use a priori knowledge about the hybrid model's structure to build a straightforward, efficient, and accurate simulator with existing software packages. The proposed methodology is based on a formal decomposition and re-articulation of the hybrid system; this is the main theoretical result of the paper. To set the result in the right perspective, we briefly review the essentially continuous and essentially discrete approaches, which are illustrated with typical examples. Then we present our new, split system approach, first in a general formal context, then in three more specific guises that reflect the viewpoints of three main communities of hybrid system researchers and practitioners. For each of these variants we indicate an implementation path. Our approach is illustrated with an archetypal problem of power grid control.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2016

SCALE Continuous-Energy Eigenvalue Sensitivity Coefficient Calculations

Sensitivity coefficients describe the fractional change in a system response that is induced by changes to system parameters and nuclear data. The Tools for Sensitivity and UNcertainty Analysis Methodology Implementation (TSUNAMI) code within the SCALE code system makes use of eigenvalue sensitivity coefficients for an extensive number of criticality safety applications, including quantifying the data-induced uncertainty in the eigenvalue of critical systems, assessing the neutronic similarity between different critical systems, and guiding nuclear data adjustment studies. The need to model geometrically complex systems with improved fidelity and the desire to extend TSUNAMI analysis to advanced applications has motivated the development of a methodology for calculating sensitivity coefficients in continuous-energy (CE) Monte Carlo applications. The Contributon-Linked eigenvalue sensitivity/Uncertainty estimation via Tracklength importance CHaracterization (CLUTCH) and Iterated Fission Probability (IFP) eigenvalue sensitivity methods were recently implemented in the CE-KENO framework of the SCALE code system to enable TSUNAMI-3D to perform eigenvalue sensitivity calculations using continuous-energy Monte Carlo methods. This work provides a detailed description of the theory behind the CLUTCH method and describes in detail its implementation. This work explores the improvements in eigenvalue sensitivity coefficient accuracy that can be gained through the use of continuous-energy sensitivity methods and also compares several sensitivity methods in terms of computational efficiency and memory requirements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

MULTISTEP AND CONTINUOUS PHYSICS-INFORMED NEURAL NETWORK METHODS FOR LEARNING GOVERNING EQUATIONS AND CONSTITUTIVE RELATIONS

In this work, we investigate the applicability and relative merit of discrete and continuous versions of physics-informed neural network (PINN) methods for learning unknown governing equations or constitutive relations in a nonlinear dynamical system. In the case of unknown dynamics, entire right-hand-side (RHS) equations of the ordinary differential equations are unknown. In the case of unknown constitutive relations, however, the RHS equations are known up to the specification of constitutive relations (that may depend on the state of the system). We use a deep neural network to model unknown governing equations or constitutive relations. The discrete PINN approach combines classical multistep discretization methods for dynamical systems with neural-network-based machine learning methods. On the other hand, the continuous versions utilize deep neural networks to minimize the residual function for the continuous governing equations. We use the case of a fedbatch bioreactor system to study the effectiveness of these approaches and discuss conditions for their applicability. Our results indicate that the accuracy of the trained neural network models is much higher for the cases where we only have to learn a constitutive relation instead of all dynamics. This finding corroborates the well-known fact from scientific computing that building as much structural information as is available into an algorithm can enhance its efficiency and/or accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

AmeriFlux FLUXNET-1F US-Ne1 Mead - irrigated continuous maize site

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-Ne1 Mead - irrigated continuous maize site. This is the FLUXNET version of the carbon flux data for the site US-Ne1 Mead - irrigated continuous maize site produced by applying the standard ONEFlux (1F) software. Site Description - The study site is one of three fields (all located within 1.6 km of each other) at the University of Nebraska Eastern Nebraska Research, Education and Extension Center near Mead, Nebraska. This site is irrigated with a center pivot system. Prior to the initiation of the study, the irrigated site had a 10-yr history of maize-soybean rotation under no-till. A tillage operation (disking) was done just prior to the 2001 planting to homogenize the top 0.1 m of soil, incorporate P and K fertilizers, as well as previously accumulated surface residues. This field was planted with maize every growing season. Since the 2001 tillage operation, the site has been under no-till management until the harvest of 2005. Following harvest, a conservation-plow tillage operation was initiated where a small amount of N fertilizer is sprayed on the residue immediately prior to the plow operation. Approximately 1/3 of the crop residue is left on the surface. The post-harvest conservation-plow operation continued until 2022. Since 2022, the site management has changed such that the field is now a strictly no-till, maize-soybean rotation (maize odd years and soybean even years).

Suyker, Andy↗
DOE OSTI2025

Exploring Continuous Seismic Data at an Industry Facility Using Unsupervised Machine Learning

Seismic data recorded at industrial sites contain valuable information on anthropogenic activities. With advances in machine learning and computing power, new opportunities have emerged to explore the seismic wavefield in these complex environments. We applied two unsupervised machine learning algorithms to analyze continuous seismic data collected from an industrial facility in Texas, United States. The Uniform Manifold Approximation and Projection for Dimension Reduction algorithm was used to reduce the dimensionality of the data and generate 2D embeddings. Then, the Hierarchical Density-Based Spatial Clustering of Applications with Noise method was employed to automatically group these embeddings into distinct signal clusters. Our analysis of over 1400 hr (around 59 days) of continuous seismic data revealed five and seven signal clusters at two separate stations. At both stations, we identified clusters associated with background noise and vehicle traffic, with the latter’s temporal patterns aligning closely with the facility’s work schedule. Furthermore, the algorithms detected signal clusters from unknown sources and underline the ability of unsupervised machine learning for uncovering previously unrecognized patterns. Our analysis demonstrates the effectiveness of unsupervised approaches in examining continuous seismic data without requiring prior knowledge or pre-existing labels.

58 GEOSCIENCES↗
DOE OSTI2024

SmoQyDEAC.jl: A differential evolution package for the analytic continuation of imaginary time correlation functions

We introduce the SmoQyDEAC.jl package, a Julia implementation of the Differential Evolution Analytic Continuation (DEAC) algorithm [N. S. Nichols et al., Phys. Rev. E 106, 025312 (2022)] for analytically continuing noisy imaginary time correlation functions to the real frequency axis. Our implementation supports fermionic and bosonic correlation functions on either the imaginary time or Matsubara frequency axes, and treatment of the covariance error in the input data. This paper presents an overview of the DEAC algorithm and the features implemented in the SmoQyDEAC.jl package. It also provides detailed benchmarks of the package's output against the popular maximum entropy and stochastic analytic continuation methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Calculating alpha Eigenvalues in a Continuous-Energy Infinite Medium with Monte Carlo

The α eigenvalue has implications for time-dependent problems where the system is sub- or supercritical. We present methods and results from calculating the α-eigenvalue spectrum for a continuous-energy infinite medium with a simplified Monte Carlo transport code. We formulate the α-eigenvalue problem, detail the Monte Carlo code physics, and provide verification and results. We have a method for calculating the α-eigenvalue spectrum in a continuous-energy infinite-medium. The continuous-time Markov process described by the transition rate matrix provides a way of obtaining the α-eigenvalue spectrum and kinetic modes. These are useful for the approximation of the time dependence of the system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2012

Surrogate models for mixed discrete-continuous variables

Large-scale computational models have become common tools for analyzing complex man made systems. However, when coupled with optimization or uncertainty quantification methods in order to conduct extensive model exploration and analysis, the computational expense quickly becomes intractable. Furthermore, these models may have both continuous and discrete parame ters. One common approach to mitigating the computational expense is the use of response surface approximations. While well developed for models with continuous parameters, they are still new and largely untested for models with both continuous and discrete parameters. In this work, we describe and investigate the performance of three types of response surfaces developed for mixed variable models: Adaptive Component Selection and Shrinkage Operator, Treed Gaussian Process, and Gaussian Process with Special Correlation Functions. We focus our efforts on test problems with a small number of parameters of interest, a characteristic of many physics-based engineering models. We present the results of our studies and offer some insights regarding the performance of each response surface approximation method.

Swiler, Laura Painton↗
DOE OSTI2014

Release of Continuous Representation for S(α,β) ACE Data

For low energy neutrons, the default free gas model for scattering cross sections is not always appropriate. Molecular effects or crystalline structure effects can affect the neutron scattering cross sections. These effects are included in the S(α; β) thermal neutron scattering data and are tabulated in file 7 of the ENDF6 format files. S stands for scattering. α is a momentum transfer variable and is an energy transfer variable. The S(α; β) cross sections can include coherent elastic scattering (no E change for the neutron, but specific scattering angles), incoherent elastic scattering (no E change for the neutron, but continuous scattering angles), and inelastic scattering (E change for the neutron, and change in angle as well). Every S(α; β) material will have inelastic scattering and may have either coherent or incoherent elastic scattering (but not both). Coherent elastic scattering cross sections have distinctive jagged-looking Bragg edges, whereas the other cross sections are much smoother. The evaluated files from the NNDC are processed locally in the THERMR module of NJOY. Data can be produced either for continuous energy Monte Carlo codes (using ACER) or embedded in multi-group cross sections for deterministic (or even multi-group Monte Carlo) codes (using GROUPR). Currently, the S(α; β) files available for MCNP use discrete energy changes for inelastic scattering. That is, the scattered neutrons can only be emitted at specific energies— rather than across a continuous spectrum of energies. The discrete energies are chosen to preserve the average secondary neutron energy, i.e., in an integral sense, but the discrete treatment does not preserve any differential quantities in energy or angle.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Validation and optimization of batch and continuous particle separation processes

Recent advances in simulation capabilities coupled with advanced manufacturing can be leveraged to create highly efficient compact reactors with low emissions, low cost, high reliability, and high flexibility for energy conversion. This type of reactor is especially important for conversion of bio-mass, a storable, renewable and fast-growing energy source, considering the distributed nature of raw material and cost of biomass collection and transportation. To achieve this goal, it is critical to developing new process technologies that are significantly more efficient than traditional processes for which the added manufacture provides a fast way of realization and evaluation. Based upon the flagship MFiX multiphase computational fluid dynamic software suite, NETL has developed an Optimization Toolset to facilitate the CFD simulation based reactor design and optimization, and process intensification. This technical report presents the recent development and application of the Optimization Toolset and the framework for process optimization of particle separation in batch and continuous processes. In these processes, a fluidized bed reactor under proper operating condition was used to separate particles of different physical properties. MFiX-DEM simulations were conducted for a batch system to simulate the process covering a wide range of superficial gas velocities from which the optimal operational parameter can be determined through analyzing the system response. After successful demonstration of the framework, a continuous system for particle separation was designed based on CFD simulations. Similar optimization exercises were conducted for the continuous particle separation considering multiple operating parameters. The design was then fabricated in the laboratory through 3D printing for testing. The particle separation performance was carefully measured through high-speed video for particle tracking. Quantitative comparison between numerical results and experimental measurements were conducted for confirmation and validation.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2019

Vitrification of Hanford Tank Waste 241-AP-107 in a Continuous Laboratory-Scale Melter

Low-activity waste (LAW) stored in underground tanks on the Hanford Site in Washington State is planned to be filtered for solids removal and processed through ion exchange columns for cesium removal. These pretreatment steps will allow the waste to be transferred to the Hanford Tank Waste Treatment and Immobilization Plant’s LAW Facility for immobilization into glass. The liquid waste will be combined with glass-forming chemicals (GFCs) to form a waste feed slurry that can be fed to electric melters for vitrification. The process of continuously converting the aqueous feed slurry into a melt is dynamic and includes multiple reactions, degassing, and dissolution processes that depend on heat from the melt below. In this conversion process, waste components are partitioned into one of two streams: glass and off-gas. Washington River Protection Solutions has requested processing information and chemical information associated with these waste products for actual waste from Hanford tank 241-AP-107 (referred to herein as AP-107). To acquire this type of information, a small-scale melter system was designed that would not require high volumes of input waste or the large resource commitment of a full-scale melter system, while also providing dynamic information that would be difficult to determine from batch reactions in a crucible system. A continuous laboratory-scale melter (CLSM) has been designed to operate with a continuous feeding process while periodically pouring glass product and collecting off-gas. The CLSM vessel has been sized to collect the relevant process and chemical information from obtainable volumes of AP-107 waste samples. A total 8.6 L of actual AP-107 tank waste were received after filtering for solids removal and ion exchange for cesium removal. This volume of AP-107 waste was mixed with GFCs to form an estimated 11.8 L of melter feed slurry. A mass of 7.01 kg of glass product were poured from the CLSM vessel during 10.07 hours of charging the AP-107 melter feed, indicating that about 15.0 kg of melter feed was vitrified into glass. The CLSM system was also designed with the capability to fully divert the flow of off-gas produced in the CLSM vessel to a sampling line that could capture the volatile species of interest, such as technetium-99 ( 99 Tc). This novel sampling system avoided the difficulties of slipstream sampling and could be activated once the feeding reached a steady state within the CLSM vessel. Off-gas product samples captured via high-efficiency particulate air (HEPA) filters using this method, as well as selected glass product samples were sent to an analytical lab for chemical analysis.

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

Modeling Continuous-Flow Reactor Improvements over Batch Reactions for Enzyme Catalyzed Microsphere Surface Reactions

Our research objective was to study enzymatic reactions occurring on microsphere surfaces. Specifically, our work involved enzymatic polymerization reactions (chain lengthening) taking place both in batch and in a continuous flow reactor. My research involved creating simulations using COMSOL Multiphysics 5.4a to further study variable interactions within the continuous flow reactor. Our goal was to use suitable software to create a simulation platform suite that could be used for advanced research studies of continuous flow enzymatic surfaces reactions. In addition, we studied various characteristics of our present enzymatic polymerization reactor assembly, modeled inlet species flow (Species M) and estimated outlet species production (Species P). Our simulations spanned three levels of detail: Single-Bead, Packed-Bead Cell and Full Reactor Column. Furthermore, the Packed-Bead Cells were studied using three possible regular arrangement of solid spheres: Face-Centered Cubic (FCC), Hexagonal Close Packed (HCP) and Cubic Close Packed (CCP).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗