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At least 829 records · Page 46

Predicting the Reliability of Ceramics Under Transient Loads and Temperatures With CARES/Life

A methodology is shown for predicting the time-dependent reliability of ceramic components against catastrophic rupture when subjected to transient thermomechanical loads (including cyclic loads). The methodology takes into account the changes in material response that can occur with temperature or time (i.e., changing fatigue and Weibull parameters with temperature or time). This capability has been added to the NASA CARES/Life (Ceramic Analysis and Reliability Evaluation of Structures/Life) code. The code has been modified to have the ability to interface with commercially available finite element analysis (FEA) codes executed for transient load histories. Examples are provided to demonstrate the features of the methodology as implemented in the CARES/Life program.

Nemeth, Noel N.↗

An Interface Damage Model for the Simulation of Delamination Under Variable-Mode Ratio in Composite Materials

A thermodynamically consistent damage model for the simulation of progressive delamination under variable mode ratio is presented. The model is formulated in the context of the Damage Mechanics (DM). The constitutive equations that result from the variation of the free energy with damage are used to model the initiation and propagation of delamination. A new delamination initiation criterion is developed to assure that the formulation can account for changes in the loading mode in a thermodynamically consistent way. Interfacial penetration of two adjacent layers after complete decohesion is prevented by the formulation of the free energy. The model is implemented into the commercial finite element code ABAQUS by means of a user-written decohesion element. Finally, the numerical predictions given by the model are compared with experimental results.

Turon, Albert↗

Finite Element Models for Electron Beam Freeform Fabrication Process

Electron beam freeform fabrication (EBF3) is a member of an emerging class of direct manufacturing processes known as solid freeform fabrication (SFF); another member of the class is the laser deposition process. Successful application of the EBF3 process requires precise control of a number of process parameters such as the EB power, speed, and metal feed rate in order to ensure thermal management; good fusion between the substrate and the first layer and between successive layers; minimize part distortion and residual stresses; and control the microstructure of the finished product. This is the only effort thus far that has addressed computer simulation of the EBF3 process. The models developed in this effort can assist in reducing the number of trials in the laboratory or on the shop floor while making high-quality parts. With some modifications, their use can be further extended to the simulation of laser, TIG (tungsten inert gas), and other deposition processes. A solid mechanics-based finite element code, ABAQUS, was chosen as the primary engine in developing these models whereas a computational fluid dynamics (CFD) code, Fluent, was used in a support role. Several innovative concepts were developed, some of which are highlighted below. These concepts were implemented in a number of new computer models either in the form of stand-alone programs or as user subroutines for ABAQUS and Fluent codes. A database of thermo-physical, mechanical, fluid, and metallurgical properties of stainless steel 304 was developed. Computing models for Gaussian and raster modes of the electron beam heat input were developed. Also, new schemes were devised to account for the heat sink effect during the deposition process. These innovations, and others, lead to improved models for thermal management and prediction of transient/residual stresses and distortions. Two approaches for the prediction of microstructure were pursued. The first was an empirical approach involving the computation of thermal gradient, solidification rate, and velocity (G,R,V) coupled with the use of a solidification map that should be known a priori. The second approach relies completely on computer simulation. For this purpose a criterion for the prediction of morphology was proposed, which was combined with three alternative models for the prediction of microstructure; one based on solidification kinetics, the second on phase diagram, and the third on differential scanning calorimetry data. The last was found to be the simplest and the most versatile; it can be used with multicomponent alloys and rapid solidification without any additional difficulty. For the purpose of (limited) experimental validation, finite element models developed in this effort were applied to three different shapes made of stainless steel 304 material, designed expressly for this effort with an increasing level of complexity. These finite element models require large computation time, especially when applied to deposits with multiple adjacent beads and layers. This problem can be overcome, to some extent, by the use of fast, multi-core computers. Also, due to their numerical nature coupled with the fact that solid mechanics- based models are being used to represent the material behavior in liquid and vapor phases as well, the models have some inherent approximations that become more pronounced when dealing with multi-bead and multi-layer deposits.

Chandra, Umesh↗

Enhancement of the Earth Science and Remote Sensing Group's Website and Related Projects

The major problem addressed throughout the term was the need to update the group's current website, as it was outdated and required streamlining and modernization. The old Gateway to Astronaut Photography of the Earth website had multiple components, many of which involved searches through expansive databases. The amount of work required to update the website was large and due to a desired release date, assistance was needed to help build new pages and to transfer old information. Additionally, one of the tools listed on the website called Image Detective had been underutilized in the past. It was important to address why the public was not using the tool and how it could potentially become more of a resource for the team. In order to help with updating the website, it was necessary to first learn HTML. After assisting with small edits, I began creating new pages. I utilized the "view page source" and "developer" tools in the internet browser to observe how other websites created their features and to test changes without editing the code. I then edited the code to create an interactive feature on the new page. For the Image Detective Page I began an evaluation of the current page. I also asked my fellow interns and friends at my University to offer their input. I took all of the opinions into account and wrote up a document regarding my recommendations. The recommendations will be considered as I help to improve the Image Detective page for the updated website. In addition to the website, other projects included the need for additional, and updated image collections, along with various project requests. The image collections have been used by educators in the classroom and the impact crater collection was highly requested. The glaciers collection focused mostly on South American glaciers and needed to include more of the earth's many glaciers. The collections had not been updated or created due to the fact that related imagery had not been catalogued. The process of cataloging involves identifying the center point location of the image and feature identification. Other project needs included collecting night images of India in for publishing. Again, many of the images were not catalogued and the database was lacking in night time imagery for that region. The last project was to calculate the size of mega fans in South Africa. Calculating the fan sizes involved several steps. To expedite the study, calculations needed to be made after the base maps had been created. Using data files that included an outline of the mega fans on a topographic map, I opened the file in Photoshop, determined the number of pixels within the outlined area, created a one degree squared box, determined the pixels within the box, converted the pixels within the box to kilometers, and then calculated the fan size using this information. Overall, the internship has been a learning experience for me. I have learned how to use new programs and I developed new skills. These These skills can help me as I enter into the next phase of my career. Learning Photoshop and HTML in addition to coding in Dreamweaver are highly sought after skills that are used in a variety of fields. Additionally, the exposure to different aspects of the team and working with different people helped me to gain a broader set of skills and allowed me to work with people with different experiences. The various projects I have worked on this summer have directly benefitted the team whether it was completing projects they did not have the time to do, or by helping the team reach deadlines sooner. The new website will be the best place to see all of my work as it will include the newly designed pages and will feature my updates to collections.

Coffin, Ashley↗

Center for Tokamak Transient Simulations (RPI Unstructured Mesh Developments for FES SciDAC4 Partnerships) (Final Report)

The goal of this project was the development of unstructured mesh technologies for fusion simulation codes” for FES SciDAC partnerships and to integrate those technologies into the simulation workflows of those partnerships. Specific developments were executed in support of the following FES SciDAC4 partnerships: Partnership Center for High‐fidelity Boundary Plasma Simulation (HBPS), Center for Integrated Simulation of Fusion Relevant RF (RF‐SciDAC), Center for Plasma Surface Interactions: Predicting the Performance and Impact of Dynamic PFC Surfaces (PSI2), and Center for Tokamak Transient Simulations (CTTS). The key unstructured mesh development areas addressed in this project include (i) methods to most effectively perform PIC calculations on unstructured meshes; (ii) creating meshes for fusion systems accounting for any desired level of geometric complexity and providing physics aware mesh configurations, (iii) adapting unstructured meshes to control the discretization errors, (iv) executing unstructured mesh calculations on GPU accelerated systems, (v) supporting physics/application‐specific PIC operations including surface/wall interactions of particles, (vi) providing infrastructure tools to support the interactions of solvers with unstructured meshes, and (vii) providing advanced methods for coupling plasma physics codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Deterministic Multiaxial Creep and Creep Rupture Enhancements for CARES/Creep Integrated Design Code

High temperature and long duration applications of monolithic ceramics can place their failure mode in the creep rupture regime. A previous model advanced by the authors described a methodology by which the creep rupture life of a loaded component can be predicted. That model was based on the life fraction damage accumulation rule in association with the modified Monkman-Grant creep rupture criterion. However, that model did not take into account the deteriorating state of the material due to creep damage (e.g., cavitation) as time elapsed. In addition, the material creep parameters used in that life prediction methodology, were based on uniaxial creep curves displaying primary and secondary creep behavior, with no tertiary regime. The objective of this paper is to present a creep life prediction methodology based on a modified form of the Kachanov-Rabotnov continuum damage mechanics (CDM) theory. In this theory, the uniaxial creep rate is described in terms of sum, temperature, time, and the current state of material damage. This scalar damage state parameter is basically an abstract measure of the current state of material damage due to creep deformation. The damage rate is assumed to vary with stress, temperature, time, and the current state of damage itself. Multiaxial creep and creep rupture formulations of the CDM approach are presented in this paper. Parameter estimation methodologies based on nonlinear regression analysis are also described for both, isothermal constant stress states and anisothermal variable stress conditions This creep life prediction methodology was preliminarily added to the integrated design code CARES/Creep (Ceramics Analysis and Reliability Evaluation of Structures/Creep), which is a postprocessor program to commercially available finite element analysis (FEA) packages. Two examples, showing comparisons between experimental and predicted creep lives of ceramic specimens, are used to demonstrate the viability of Ns methodology and the CARES/Creep program.

Jadaan, Osama M.↗

Implicit solution of three-dimensional internal turbulent flows

The scalar form of the approximate factorization method was used to develop a new code for the solution of three dimensional internal laminar and turbulent compressible flows. The Navier-Stokes equations in their Reynolds-averaged form were iterated in time until a steady solution was reached. Evidence was given to the implicit and explicit artificial damping schemes that proved to be particularly efficient in speeding up convergence and enhancing the algorithm robustness. A conservative treatment of these terms at the domain boundaries was proposed in order to avoid undesired mass and/or momentum artificial fluxes. Turbulence effects were accounted for by the zero-equation Baldwin-Lomax turbulence model and the q-omega two-equation model. The flow in a developing S-duct was then solved in the laminar regime in a Reynolds number (Re) of 790 and in the turbulent regime at Re equals 40,000 by using the Baldwin-Lomax model. The Stanitz elbow was then solved by using an invicid version of the same code at M sub inlet equals 0.4. Grid dependence and convergence rate were investigated, showing that for this solver the implicit damping scheme may play a critical role for convergence characteristics. The same flow at Re equals 2.5 times 10(exp 6) was solved with the Baldwin-Lomax and the q-omega models. Both approaches show satisfactory agreement with experiments, although the q-omega model was slightly more accurate.

Michelassi, V.↗

A GPU ‐Accelerated 3D Unstructured Mesh Based Particle Tracking Code for Multi‐Species Impurity Transport Simulation in Fusion Tokamaks

ABSTRACT This paper presents the multi‐species global impurity transport capability developed in a GPU‐accelerated fully 3D unstructured mesh‐based code, GITRm, to simultaneously track multiple impurity species and handle interactions of these impurities with mixed‐material surfaces. Different computational approaches to model particle‐surface interaction or surface response have been developed and compared. Sheath electric field is taken into account by employing a fast distance‐to‐boundary calculation, which is carried out in parallel on distributed or partitioned meshes on multiple GPUs without the need for any inter‐process communication during the simulation. Several example cases, including two for the DIII‐D tokamak, that is, one with the SAS‐V divertor and the other with the collector probes, are used to demonstrate the utility of the current multi‐species capability. For the DIII‐D probe case, the capability of GITRm to resolve the spatial distribution of particles in localized regions, such as diagnostic probes, within non‐axisymmetric tokamak geometries is demonstrated. These simulations involve up to 320 million particles and utilize up to 48 GPUs.

Nath, Dhyanjyoti D. [Scientific Computation Resear↗

New Basis Set Exchange: An Open, Up-to-date Resource for the Molecular Sciences Community

In computational quantum chemistry, the basis set is a fundamental input to many types of simulations, and the choice of basis set can have dramatic effects on both the accuracy and performance of the simulation. Due to this fundamental nature, basis sets have been developed starting at the beginning of the computational chemistry field, and extending to the present day, with new basis sets taking into account new theories and methods now accessible due to increases in computing power. Practically, computations are most comparable when they use the same basis set. However, early distribution channels often led to differing incorporation of basis sets indifferent computational chemistry codes, harming reproducibility and introducing errors in calculations that can go unnoticed. Such errors can be due to many causes, including transcription errors, neglecting publication of the full precision of numerical values, updated values not being incorporated in a timely manner, or development of an ‘improved’ version by different developers that retains the same name as the original basis set. Therefore, there was a need to store basis sets in a central location and make them easily and freely accessible by any researcher. The Basis Set Exchange (BSE) is widely considered by the field to be such a resource.

basis set, ab initio, web application, web interfa↗

The changing mouse embryo transcriptome at whole tissue and single-cell resolution

During mammalian embryogenesis, differential gene expression gradually builds the identity and complexity of each tissue and organ system 1 . Here we systematically quantified mouse polyA-RNA from day 10.5 of embryonic development to birth, sampling 17 tissues and organs. The resulting developmental transcriptome is globally structured by dynamic cytodifferentiation, body-axis and cell-proliferation gene sets that were further characterized by the transcription factor motif codes of their promoters. We decomposed the tissue-level transcriptome using single-cell RNA-seq (sequencing of RNA reverse transcribed into cDNA) and found that neurogenesis and haematopoiesis dominate at both the gene and cellular levels, jointly accounting for one-third of differential gene expression and more than 40% of identified cell types. By integrating promoter sequence motifs with companion ENCODE epigenomic profiles, we identified a prominent promoter de-repression mechanism in neuronal expression clusters that was attributable to known and novel repressors. Focusing on the developing limb, single-cell RNA data identified 25 candidate cell types that included progenitor and differentiating states with computationally inferred lineage relationships. We extracted cell-type transcription factor networks and complementary sets of candidate enhancer elements by using single-cell RNA-seq to decompose integrative cis -element (IDEAS) models that were derived from whole-tissue epigenome chromatin data. These ENCODE reference data, computed network components and IDEAS chromatin segmentations are companion resources to the matching epigenomic developmental matrix, and are available for researchers to further mine and integrate.

59 BASIC BIOLOGICAL SCIENCES↗

Atomic forces from Dirac-Kohn-Sham equations: Implementation in flexible (APW+lo/LAPW)+LO basis set

The atomic forces formulation based on the Dirac-Kohn-Sham equation and the flexible (APW+lo/LAPW)+LO basis set is presented here. The formulation was implemented in the code FlapwMBPT and allows a user to easily switch between different basis functions of the augmentation type (APW or LAPW) and between different kind of local orbitals. Similar to the work (Phys.Rev.B 91 (2015) 035105), the implementation takes into account small discontinuities of the wave functions, density, and potential at the muffin-tin sphere boundaries. Applications to the materials with strong relativistic effects, such as $\alpha$-Uranium, PuCoGa$_{5}$, and FePt, demonstrate robustness of the method. The comparison of the calculated forces with the ones obtained by numerical differentiation of free energy shows close agreement with deviations about 0.1% or less.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Transfer functions for Q A /Q B international regulatory limits for the safe transport of radioactive materials

This paper presents a proposed revision of the International Atomic Energy Agency transport regulations, related to the A 1 and A 2 limit values used to determine the radioactive transport classification. Based on the 'Q system', a novel methodology was introduced to derive Q A and Q B values related to scenarios involving external exposure from a distant source. These values are key parameters that respectively represent the total effective dose and total equivalent dose to the skin, from all primary and secondary particles contributing to radiation exposure. The International Working Group (WG A 1 /A 2 ) is established and associated with the TRANSSC Technical Expert Group on Radiation Protection. A review of the A 1 and A 2 values is performed in response to identified limitations within the existing Q system. The followed approach is based on Monte Carlo simulations that enabled the development of transfer functions aimed at reducing computational time and increasing the flexibility of dose evaluations for any radionuclide with known particle emission spectra. This method allows updating the Q A and Q B values to account for future data evolutions (decay data, fluence-to-dose conversion coefficients) and standardizing the calculation of regulation limits across all referenced radionuclides and scenarios related to external exposure. The transfer functions are established using three Monte Carlo simulation codes—FLUKA, Geant4, and MCNP—and address the previous limitations of the 'Q system', reflecting the latest International Commission for Radiation Protection recommendations and improvements in calculation techniques. The results of the WG show consistent agreement across the codes, with minor discrepancies observed at low primary energies due to statistical uncertainties and different handling of stopping power for electrons/positrons in the codes. This revised approach aligns with current standards and recommendations, ensuring that the radiological consequences of transport accidents are acceptable for the new A 1 and A 2 limits from a radiological protection perspective.

61 RADIATION PROTECTION AND DOSIMETRY↗

Monte Carlo Driven MDI Optimization at a Muon Collider

A Muon Collider represents a very interesting possibility for a future machine to explore the energy frontier in particle physics. However, to reach the needed luminosity, beam intensities of the order of 10⁹–10¹² muons per bunch are needed. In this context, the Beam-Induced Background must be taken into account for its effects on magnets and detector. Several mitigation strategies can however be conceived. In this view, it is of crucial importance to develop a flexible tool that allows to easily reconstruct the machine geometry in a Monte Carlo code, allowing to simulate in detail the interaction of muon decay products in the machine, while being able to change the machine optics itself to find the best configuration. In this contribution, a possible approach to such a purpose is presented, based on FLUKA for the Monte Carlo simulation and on LineBuilder for the geometry reconstruction. Results based on the 1.5 TeV machine optics developed by the MAP collaboration are discussed, as well as a first approach to possible mitigation strategies.

43 PARTICLE ACCELERATORS↗

Radiation Damage Calculation Methodology

This report outlines the consensus radiation damage calculation methodology used by the Neutronics Analysis Group at Idaho National Laboratory. This methodology includes calculation of radiation damage rates via the Monte Carlo N-Particle (MCNP) code, and calculation of radiation damage in mixed materials, such as alloys. A consistent method for calculating the average displacement threshold energy of a mixed material has been established by the Neutronics Analysis Group. No standard method currently exists to account for radiation damage caused by neutron-induced transmutations. Only one documented case addresses transmutation radiation damage in materials containing nickel, and that method was incorporated by the Neutronics Analysis Group into their radiation damage calculation methodology.

36 MATERIALS SCIENCE↗

High-Enthalpy Effects on Hypersonic Boundary-Layer Transition

In the present study, three boundary-layer stability codes are compared based on hypersonic high-enthalpy boundary-layer flows around a blunted 7 deg half-angle cone. The code-to-code comparison is conducted between the following codes: the Nonlocal Transition analysis code of the DLR, German Aerospace Center (DLR); the Stability and Transition Analysis for hypersonic Boundary Layers code of VirtusAero LLC; and the VKI Extensible Stability and Transition Analysis code of the von Kármán Institute for Fluid Dynamics. The comparison focuses on the role of real-gas effects on the second-mode instability, in particular the disturbance frequency, and deals with the question on how far not accounting for real-gas effects compromises the stability analysis. Here, the experimental test cases for the comparison are provided by the DLR High Enthalpy Shock Tunnel Göttingen and the Japan Aerospace Exploration Agency High Enthalpy Shock Tunnel. The focus of the comparison between the stability results and the measurements is, besides real-gas effects, the influence of uncertainties in the mean flow on the stability analysis.

42 ENGINEERING↗

Ablation of Galileo Probe heat-shield models in a ballistic range

Several 1/24-scale models of the Galileo Probe made of carbon-phenolic materials were flown in a ballistic range to test their ablation characteristics. Mostly radiative or all-convective heating environments were produced by using argon or air as the test gas, respectively, to simulate the Jovian entry heating environments. The experimental results were compared with the theoretical predictions made using the computer codes of radiating shock layer environment (RASLE) and charring materials ablation (CMA). The experimental data obtained in argon agreed approximately with the theoretical predictions. The data for air agreed approximately with the theory when turbulence and surface roughness effects were accounted for. The data imply that the Galileo Probe heat shield was adequately designed.

Park, C.↗

Signal processing of aircraft flyover noise

A detailed analysis of signal processing concerns for measuring aircraft flyover noise is presented. Development of a de-Dopplerization scheme for both corrected time history and spectral data is discussed along with an analysis of motion effects on measured spectra. A computer code was written to implement the de-Dopplerization scheme. Input to the code is the aircraft position data and the pressure time histories. To facilitate ensemble averaging, a uniform level flyover is considered but the code can accept more general flight profiles. The effects of spectral smearing and its removal is discussed. Using data acquired from XV-15 tilt rotor flyover test comparisons are made showing the measured and corrected spectra. Frequency shifts are accurately accounted for by the method. It is shown that correcting for spherical spreading, Doppler amplitude, and frequency can give some idea about source directivity. The analysis indicated that smearing increases with frequency and is more severe on approach than recession.

Kelly, Jeffrey J.↗

Helioseismological test of a new model for stellar convection

We compare the predictions of two solar models with the observed p-mode eigenfrequencies. The two models use the same input microphysics (nuclear reaction rates, opacity, and equation of a state) and the same numerical evolutionary code, but differ in the treatment of turbulent convection. The first model employs the standard mixing-length theory of convection (MLT), while the second model employs a new model of turbulent convection (CM) whose primary goal was that of accounting for the whole spectrum of turbulent eddies so as to avoid the MLT approximation that such a wide spectrum be represented by a single, large eddy. The main result of this paper is that the p-mode eigenfrequencies calculated with the CM model show an overall improvement with respect to those calculated with the standard MLT model.

Paterno, L.↗