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At least 433 records · Page 24

Fast BLT Code

This note discusses numerical algorithmic software design considerations and performance estimates for a fast BLT coupling code [1] written in c++. The aim of this code is to conduct faster parameter studies over line orientations. The original matlab code was written by Mike Rivera. Art Barnes ported this code to julia. I rewrote portions of the code for speed improvement, mainly to eliminate some redundant computation when calculating many line orientations. But this code is still far from optimal.

97 MATHEMATICS AND COMPUTING↗

Preliminary Enhanced LAW Glass Formulation Algorithm

This report summarizes the Preliminary Enhanced Low-Activity Waste Glass Formulation Algorithm (GFA), its background information, and the calculations it performs. The Preliminary Enhanced Low-Activity Waste GFA is a tool that has been developed in MATLAB to formulate glass for a given waste composition while attempting to maximize waste loading. It is intended for use at the Hanford Tank Waste Treatment and Immobilization Plant, where nuclear waste will be vitrified into glass. The formulated glass is required to satisfy several processing and product quality constraints. In addition, calculations must account for associated uncertainties in constraint prediction and measurement. The GFA adheres to Pacific Northwest National Laboratory nuclear quality assurance procedures and has been validated and verified.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Echo: Data and Analysis Management [Slides]

Echo software capabilities are described. Echo provides a comprehensive suite of tools for data wrangling, management, and analysis. It is an object-oriented approach to data analysis designed for robust and scalable execution of complex analysis workflows written in MATLAB.

97 MATHEMATICS AND COMPUTING↗

The Marine and Hydrokinetic ToolKit (MHKiT) for Data Quality Control and Analysis [Slides]

The ability to collect, ingest, condition, reduce, quality control, process, visualize, and store data in a standardized way is critical at all stages of Marine Energy (ME) research and technology/project development. MHKiT is an open-source, standardized suite of ME data processing functions that provides the ability to ingest, condition, reduce, quality control, process, visualize and store ME data. MHKiT is developed in both Python and Matlab.

16 TIDAL AND WAVE POWER↗

Air Exchange Rate Impact on Activity Equilibrium Factors and Inhalation Fractional Equilibrium Factors for Rn, Xe, Kr, Ar, Ne, and Their Progeny in Vapor Intrusion, Risk, and Dose Models

Exposure to the radioactive noble gasses, especially radon, is of high concern and poses a significant risk to humans in an indoor air environment as the second leading cause of lung cancer in the United States. To evaluate and minimize the risks posed by these gasses, it is important to understand their radiological and physical properties. The EPA’s Radon Vapor Intrusion Screening Level (RVISL) calculator calculates indoor air RVISLs based on target working levels (WLs), target excess lifetime cancer risk (ELCR), and annual dose limits for the actinon (Rn-219), thoron (Rn-220), and radon (Rn-222) decay series. The RVISLs are based on inhalation and submersion in gas cloud exposure routes for residential and commercial settings. The RVISLs are analogous to preliminary remediation goals (PRGs) and dose compliance concentrations (DCCs), where the isotope-specific values are in units of activity concentration (activity per unit volume). If the concentration of a parent isotope of radon or its progeny is found to exceed the RVISL, then further action to ensure cleanup of the contaminant may be necessary. In residential and commercial settings, the RVISLs will vary based on the air exchange rate present. The EPA’s Radionuclide PRG and DCC Calculators also assess the risk/dose from noble gases in the air due to household use of water like showering. In this study, a computational method in MATLAB was developed to determine the impact of the air exchange rate on the activity equilibrium factor (A eq ) and the inhalation fractional equilibrium factor (F eq ). Both factors are values that reflect the equilibrium concentrations of progeny to their parent in the air. These factors have a direct impact on the RVISL, PRG, and DCC calculations of WL, ELCR, and annual dose, respectively. This study builds on a previous report that only focused on actinon, thoron, and radon by revisiting the original A eq and F eq calculation methods, as well as including the values for the Rn-207, Rn-209, Rn-210, Rn-211, Rn-215, Rn-216, Rn-217, Rn-218, Rn-223, Ne-24, Ar-42, Ar-43, Ar-44, Kr-74, Kr-75, Kr-76, Kr-77, Kr-88, Kr-89, Xe-120, Xe-121, Xe-122, Xe-123, Xe-135m, and Xe-138 decay chains, which are not currently available in literature. The EPA’s RVISL calculator will be updated to include the new A eq and F eq values for the actinon, thoron, and radon decay chains, while the rest of the calculators will incorporate all the new A eq and F eq values as appropriate.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

FY22 Progress Report: SRNL Analysis of ICCWR LCM and WAMS Data for Corrosion and Cracking

Algorithms for machine learning and data analysis for the 3013 Surveillance Program are being developed in an ongoing collaborative effort by the Savannah River National Laboratory (SRNL) and the University of South Carolina (USC). To detect the presence of corrosion and cracking, data is collected from large binary files generated by a Laser Confocal Microscope (LCM) or Wide Area 3D Measurement System (WAMS). Software is being developed to use the physical attributes in the data files (e.g., height, color, and grayscale values; all as functions of a location in a plane projection) to detect the presence of surface corrosion and cracking. A user-friendly Matlab Graphical User Interface (GUI) that reads data from either LCM or WAMS files was developed to integrate input data with software developed for processing and evaluation. The GUI can selectively download binary data, interrogate data attributes, label data for training ML algorithms, flag significant features, execute Machine Learning (ML) algorithms, output parameters from trained ML algorithms, report ML model accuracy with respect to labeled data, and generate graphical representations for various analyses. Surface defects can be called out by setting user-specified thresholds, feature based analysis or machine learning algorithms. Enhancements to data labeling capability have been developed to address this essential precursor to application of ML routines. Efficient labeling is particularly important in view of the very large volume of data required to train ML algorithms.

3013 Corrosion↗

Machine Learning Software for Cylindrical Battery Design and Performance Prediction

A software that delivers optimal design parameters and performance predictions for cylindrical cells, which can range in size from micro batteries to EV batteries, is developed. The Cylindrical battery design V1.0 is comprised of three types of cylindrical batteries, Micro battery (Primary), Micro battery (Secondary) and 18650/21700/xxxxx cylindrical battery. The software was developed in MATLAB. The software has the capability to output the cell design with the capacity ranges from several mAh to several million Ah. The software utilizes machine learning and includes a graphical user interface to enable rapid prototyping to accelerate energy storage research, development, and manufacturing.

25 ENERGY STORAGE↗

Pore-Scale Simulation of Spectral Induced Polarization

A new model was developed to simulate spectral induced polarization (SIP) in porous media. The model is based on a pore-network approximation of the soil or rock, in which bonds between pores are represented by equivalent circuits. In the circuit model, electrolytic and surface conduction occur in parallel, with the electrolyte behaving as a single resistor, and the mineral surface behaving as a resistor and capacitor in series. Based on the pore geometry, fluid conductivity, and mineral surface conductivity, an impedance network is generated. SIP spectra are calculated by solving the sinusoidal steady-state electrical problem for a range of frequencies. The new model provides a tool to bridge the gap between (1) our fundamental understanding of polarization processes at the scale of a single pore or grains and (2) existing simulation capabilities for macroscale systems that do not account for pore-scale properties. The model is implemented in Matlab and can solve two-dimensional and three-dimensional (2D and 3D) networks. Examples for regular cubic lattices are presented, but the method and code are flexible with respect to pore geometries and allow for future leveraging of existing open-source capabilities for generation of pore networks and extraction of network geometries from micro imaging of core samples.

58 GEOSCIENCES↗

Solute effects upon dislocation motion and recovery in Mg alloys (Final Report)

The objective the research was to develop a firmer understanding of the interactions between substitutional solute atoms and dislocations within Mg alloys. These interactions govern the absolute and relative mobilities of various types of dislocations in Mg (e.g., basal < a>, non-basal < a>, and pyramidal < c+a>). Furthermore, they have an impact on dislocation recovery processes (e.g., cross-glide, climb, rearrangement, and annihilation). Ultimately, solute-dislocation interactions strongly impact a) strain hardening, b) strain rate sensitivity, c) plastic anisotropy of textured polycrystals, d) texture evolution, e) dislocation substructures evolution, and even f) recrystallization behavior. It is broadly known that Mg alloys exhibit poor low temperature formability. Since formability is largely governed by properties (a) – (c) in this list, it is critical to develop a better understanding of solute-dislocation interactions, if one hopes to improve the situation. While the theory of static solute strengthening is well developed, especially for alloys with face centered cubic (FCC) crystal structures, there are outstanding questions related to applications to hexagonal close packed (HCP) crystal structures and dynamic strain aging (DSA) in materials of various structures. DSA has far-reaching implications for metal formability and, in the case of Mg alloys, appears to correlate with the so-called rare-earth (RE) texture which has been shown to benefit formability. The Portevin-Le Chatelier (PLC) effect, and associated negative strain rate sensitivity, occur at higher temperatures (>100℃) in Mg alloys as compared with similar Al alloys, even though they have similar melting points and solute diffusivities. Our preliminary research has shown that modern, physics-based models of DSA can be tuned to describe the behavior of Mg alloys if a rather higher activation enthalpy is assumed for cross-core diffusivity. While this partially explains the delay in DSA to higher temperatures, it is also hypothesized that this delay is due in part to the intrinsically more thermally activated (rate sensitive) nature of non-basal < a> dislocation motion which is required for macroscopic flow of Mg alloys, whereas octahedral slip in many FCC metals like aluminum is essentially athermal at room temperature. It was originally proposed to employ a combination of in-situ diffraction-based experimental characterization to validate existing theory. It was envisioned to perform in-situ transmission electron microscopy (TEM) to assess individual dislocation behavior and in-situ high-energy X-ray diffraction (HEXRD) techniques which were showing great promise for elucidating collective dislocation behavior, 2 including recovery, especially if the contributions to various forms of diffraction peak broadening (𝜂𝜂,𝜔𝜔,and 2𝜃𝜃) can be effectively integrated. Finally, it was envisioned to perform discrete dislocation dynamics (DDD) modeling approaches to aide in the interpretation of both TEM and HEXRD experiments. In the end, mechanical tests were performed on more complex Mg alloys which exhibited evidence of dynamic strain aging, and this led to the establishment of another project. Mechanical test data obtained at McMaster University served as the basis of an assessment of the applicability of Bazinski’s “stress equivalence” theory of solute strengthening to polycrystalline alloys of Mg. Although we did not succeed in applying the approach to Mg alloys, we did develop expertise with the HEXRD approach using a BCC, β-Ti alloy and demonstrated numerous new capabilities that may be applied to any polycrystalline material in collaboration with researchers at CHESS and around the world: (1) assessment of details of the elastoplastic transition (yielding) using a combination of HEXRD and full-field polycrystal plasticity modeling, (2) the first-ever experimental observation of strong stress rotation within the individual grains of a polycrystalline material, and (3) a comprehensive analysis of the grain-level dislocation density evolution based upon diffraction peak broadening along 𝜂𝜂,𝜔𝜔,and 2𝜃𝜃 directions. This final aspect allowed us to confirm that dislocations were gliding on multiple plane types and not restricted to {110} type planes, and it also provided clues as to why some grains were unloading during straining, with surprising implications for our understanding of the effects of geometrically necessary dislocations (GNDs). Finally, graduate student, Mohammed Shabana, developed a MATLAB code which confirmed the conclusions of Prof. Catalin Picu (Rensallear Polytechnic Institute, RPI) regarding the effect of solute-trapped, forest dislocations on the breaking stress of Lomer lock junctions in FCC metal alloys. He applied the same anisotropic line-tension model to a variety of dislocation junction configurations and found an inconsistency in the widely cited results of Dupuy and Fivel regarding the Hirth Lock, and he outlined an approach to extend these finding to HCP Mg alloys that we are still pursuing with discretionary fundings at UVA.

36 MATERIALS SCIENCE↗

Laser Diode Analysis and Verification (Professional Report)

The goal of this project at Lawrence Livermore National Laboratory (LLNL) was focused on analyzing and verifying laser diodes to ensure that the diodes meet requirements for LLNL mission applications. The different stages of this testing were documented in a process flow map which included location color coding so that each step was clearly defined in scope and location of appropriate testing facility. Data were collected and analyzed and compared to minimum acceptable values to see if requirements were met. The process map documents the initial receipt, inspection, and testing of the laser diodes. Initial inspections started with Keyence Microscope imaging and then moved on to High Potential, Ramp, and Burst Testing. Data from the diode testing were processed through MATLAB and Python codes to verify various metrics such as slope efficiency, threshold current, back irradiance, and beam divergence met requirements. These metrics were then recorded in Excel summary reports. Approximately 95% of the laser diodes passed all tests. Presentations were given to Lawrence Livermore’s internal leadership team, an external partner, and to a Lab-wide audience. The data released for this report was constrained by information protection considerations of LLNL’s national security missions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Preliminary Enhanced LAW Glass Formulation Algorithm

This report summarizes the Preliminary Enhanced Low-Activity Waste Glass Formulation Algorithm (GFA), its background information, and the calculations it performs. The Preliminary Enhanced Low-Activity Waste GFA is a tool developed in MATLAB to formulate glass for a given waste composition while attempting to maximize waste loading. It is intended for use at the Waste Treatment and Immobilization Plant, where nuclear waste will be vitrified into glass. The formulated glass is required to satisfy several processing and product quality constraints. In addition, calculations must account for associated uncertainties in constraint prediction and measurement. The GFA adheres to Pacific Northwest National Laboratory nuclear quality assurance procedures and has been validated and verified. In this second revision to the report, two constraints: the lithium and zirconia target constraints were amended to Table 3.1 and programmed into the algorithm. Additionally, three sections were added. Section 3.2.1 includes the Enhanced LAW Correlation Rules, an addition to the glass optimality criteria. Section 4.0 discusses a stepped process approach taken to ensure the algorithm can adequately react to differences between its recommended output and the actual measurements and transfers made during plant operation, and calculation of specific radionuclide concentrations. Section 5.2 describes changes to the user interaction with the algorithm program including the addition of a graphical user interface and compilation of the software.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Verification and Validation of the PLTEMP/ANL Code for Thermal-Hydraulic Analysis of Experimental and Test Reactors, Volume 1

This is Volume 1 of a two-volume document that collects the verification and validation (V&V) works done for the PLTEMP/ANL code during the years of its development and improvement. Volume 1 describes the V&V of sixteen capabilities of the PLTEMP/ANL code that were identified by research reactor analysts as frequently used in their thermal-hydraulic analysis. Volume 2 describes the V&V of developments and improvements since the release of PLTEMP/ANL Version 4.3. Each chapter of the document focuses on verifying or validating a specific part of the software that calculates a specific phenomenon, e.g., channel flow calculation, coolant property calculation, heat transfer calculation, and flow instability calculation. Software verification is performed by comparing the code with hand calculation, Microsoft spreadsheet calculation, Mathematica calculation, or MATLAB calculation. The software validation is done by comparing the code with experimental data or a widely tested code like the RELAP5 code. In addition, some PLTEMP/ANL V&V works that are available in the open literature are simply cited in Volume 1 of the document. PLTEMP/ANL has been used in the safety analysis reports of several US and foreign research reactors licensed and converted from highly enriched uranium fuel to low-enriched uranium fuel. A list of such reactors is given in Volume 1 of the document.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Verification and Validation of the PLTEMP/ANL Code for Thermal-Hydraulic Analysis of Experimental and Test Reactors, Volume 2

This is Volume 2 of a two-volume document that collects the verification and validation (V&V) works done for the PLTEMP/ANL code during the years of its development and improvement. Volume 1 describes the V&V of sixteen capabilities of the PLTEMP/ANL code that were identified by research reactor analysts as frequently used in their thermal-hydraulic analysis. Volume 2 describes the V&V of developments and improvements since the release of PLTEMP/ANL Version 4.3. Each chapter of the document focuses on verifying or validating a specific part of the software that calculates a particular phenomenon, e.g., channel flow calculation, coolant property calculation, heat transfer calculation, and flow instability calculation. Software verification is performed by comparing the code with a hand calculation, Microsoft spreadsheet calculation, Mathematica calculation, or MATLAB calculation. The software validation is achieved by comparing the code with experimental data or a widely tested code like the RELAP5 code. In addition, some PLTEMP/ANL V&V works that are available in the open literature are simply referenced in Volume 1 of the document. PLTEMP/ANL has been used in safety analysis reports of several US and foreign research reactors licensed and converted from highly enriched uranium fuel to low-enriched uranium fuel. A list of such reactors is given in Volume 1 of the document.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Simulation of the Photoionization of H- Together With the Subsequent Tracking of the Liberated Electrons

The Proton Improvement Plan - II (PIP-II) is a new linear accelerator (LINAC) complex being built at Fermilab. It is based on superconducting radiofrequency cavities and will accelerate H- ions to 800 MeV kinetic energy before injection into the existing Booster ring. Measurements of the profile of the beam along the LINAC must be done by non-intercepting methods due to the superconducting cavities. The method chosen is photoionization of a small number of H- by a focused infrared laser, aka laserwire. The number of ionized electrons is measured as a function of laser position within the H- beam. To aid in the design of the collection mechanism, a simulation was written in MATLAB with input from the commercial electromagnetic simulation, CST. This simulation calculates the number and positions of the liberated electrons and tracks them through the magnetic collection and H- beam fields to the collection point. Results from this simulation for various points along the LINAC will be shown.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A Tutorial for Generating Correlated Random Samples in the Context of Replica Cross Section Data Used in the Propagation of Uncertainty (Second Edition)

The following sample problem write-ups are designed as a tutorial for generating correlated random samples (e.g., replica multi-group cross section data) for use in propagation of uncertainty problems. These problems were set up and solved in MATLAB, but any programming environment with basic statistical functions can be used to generate similar results. Since linear sample problems were chosen, helpful comparisons to the “sandwich” rule propagation of uncertainty are available and were used.

97 MATHEMATICS AND COMPUTING↗

Augmenting the Structural Dynamics Workflow to Reduce Development Times [Slides]

The structural dynamics workflow at LANL stands to be improved by implementing methods and techniques related to reduced-order finite-element modeling (FEM), pretest predictions, and FEM-test correlation and updating. The benefits of these industry-standard practices are demonstrated in this work. Software used for this project included Ansys 2023 R2 (Mechanical and Spaceclaim), Creo Parametric 8.0, MathCAD Prime 8.0, Matlab R2023b.

42 ENGINEERING↗

Automated Calculation of U-10Mo Fuel and Zr Cladding Thickness

Hand calculation and verification of cladding and fuel thickness in a hot-isostatically pressed uranium-molybdenum (U-10Mo) alloy can incur human errors and longer image processing time when analyzing a large set of cross-sectional images. To help alleviate both time cost and errors made in hand measurements, an automated image processing procedure was developed using Octave, an open-source MATLAB alternative, to repeatedly determine the thickness of Zr and U-10Mo layers. U-10Mo specimens were imaged using standard secondary electron and backscattered-electron imaging at 250× magnification to capture the various layers present in U-10Mo. Further image processing used pixel-by-pixel calculation of the Zr and U-10Mo layers to gather quantitative statistics on the thickness variations associated with each of the layers.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗