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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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At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

A general procedure for thermomechanical calibration of nano/micro-mechanical resonators

We describe a general procedure to calibrate the detection of a nano/micro-mechanical resonator’s displacement as it undergoes thermal Brownian motion. A brief introduction to the equations of motion for such a resonator is presented, followed by a detailed derivation of the corresponding power spectral density (PSD) function, which is identical in all situations aside from a system-dependent effective mass value. The effective masses for a number of different resonator geometries are determined using both finite element method (FEM) modeling and analytical calculations. -- Highlights: •Model micro- and nanomechanical resonators displaced by their own thermal motion. •Review the theoretical framework for describing thermomechanical systems. •Present a recipe for measurement calibration on devices of arbitrary shape. •Point out and correct inconsistencies in the existing literature. •Provide an authoritative guide and reference for practitioners in this area.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Sierra/SolidMechanics 5.0 Capabilities in Development

This user’s guide documents capabilities in Sierra/SolidMechanics which remain “in-development” and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 5.0 User’s Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as peridynamics and the conforming reproducing kernel (CRK) method, numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and $\textit{J}$-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Sierra/SolidMechanics 5.2 Capabilities in Development

This user’s guide documents capabilities in Sierra/SolidMechanics which remain “in-development” and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 5.2 User’s Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as the conforming reproducing kernel (CRK) method, numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and J-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

42 ENGINEERING↗
DOE OSTI2022

Sierra/SolidMechanics 5.4 Capabilities in Development

This user’s guide documents capabilities in Sierra/SolidMechanics which remain “in-development” and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 5.4 User’s Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as the conforming reproducing kernel (CRK) method, numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and J-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Sierra/SolidMechanics 5.6 Capabilities in Development

This user's guide documents capabilities in Sierra/SolidMechanics which remain "in-development" and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 5.6 User's Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as the conforming reproducing kernel (CRK) method, numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and J-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Sierra/SolidMechanics 5.8 In-Development Manual

This user’s guide documents capabilities in Sierra/SolidMechanics which remain “in-development” and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 5.8 User’s Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as the conforming reproducing kernel (CRK) method, numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and J-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

42 ENGINEERING↗
DOE OSTI2022

Sierra/SolidMechanics 5.10 In-Development Manual

This user’s guide documents capabilities in Sierra/SolidMechanics which remain “in-development” and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 5.10 User’s Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as the conforming reproducing kernel (CRK) method, numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and J-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

42 ENGINEERING↗
DOE OSTI2023

Sierra/SolidMechanics 5.16 Capabilities in Development Manual

This user’s guide documents capabilities in Sierra/SolidMechanics which remain “in-development” and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 5.16 User’s Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as the conforming reproducing kernel (CRK) method, numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and J-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

A hybrid Monte Carlo-deterministic second moment method with efficient variance reduction

In this work, we present a hybrid method that combines Monte Carlo with deterministic finite element methods to solve a linear Boltzmann transport equation. Our hybrid method runs orders of magnitude faster than Monte Carlo, without sacrificing accuracy, for a proxy problem from radiative transfer that contains both optically-thick and optically-thin material. We believe that this is the first demonstration of a hybrid Second Moment Method in more than one spatial dimension, the first to consider more than one material, and the first to use variance reduction. Our variance reduction approach arises from an asymptotic analysis in which we show that the magnitude of the scattering source grows without bound. We transform the problem to compute the deviation of the radiation intensity from isotropy. The magnitude of the source in the transformed problem is bounded, and the quality of the hybrid method solution is dramatically improved by a substantial reduction in the variance.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Multiresolution molecular mechanics: Surface effects in nanoscale materials

Surface effects have been observed to contribute significantly to the mechanical response of nanoscale structures. The newly proposed energy-based coarse-grained atomistic method Multiresolution Molecular Mechanics (MMM) (Yang, To (2015), ) is applied to capture surface effect for nanosized structures by designing a surface summation rule SR{sup S} within the framework of MMM. Combined with previously proposed bulk summation rule SR{sup B}, the MMM summation rule SR{sup MMM} is completed. SR{sup S} and SR{sup B} are consistently formed within SR{sup MMM} for general finite element shape functions. Analogous to quadrature rules in finite element method (FEM), the key idea to the good performance of SR{sup MMM} lies in that the order or distribution of energy for coarse-grained atomistic model is mathematically derived such that the number, position and weight of quadrature-type (sampling) atoms can be determined. Mathematically, the derived energy distribution of surface area is different from that of bulk region. Physically, the difference is due to the fact that surface atoms lack neighboring bonding. As such, SR{sup S} and SR{sup B} are employed for surface and bulk domains, respectively. Two- and three-dimensional numerical examples using the respective 4-node bilinear quadrilateral, 8-node quadratic quadrilateral and 8-node hexahedral meshes are employed to verify and validate the proposed approach. It is shown that MMM with SR{sup MMM} accurately captures corner, edge and surface effects with less 0.3% degrees of freedom of the original atomistic system, compared against full atomistic simulation. The effectiveness of SR{sup MMM} with respect to high order element is also demonstrated by employing the 8-node quadratic quadrilateral to solve a beam bending problem considering surface effect. In addition, the introduced sampling error with SR{sup MMM} that is analogous to numerical integration error with quadrature rule in FEM is very small. - Highlights: • Surface effect captured by Multiresolution Molecular Mechanics (MMM) is presented. • A novel surface summation rule within the framework of MMM is proposed. • Surface, corner and edges effects are accuterly captured in two and three dimension. • MMM with less 0.3% degrees of freedom of atomistics reproduces atomistic results.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Local stress-induced effects on AlGaAs/AlOx oxidation front shape

The lateral oxidation of thick AlGaAs layers (>500 nm) is studied. An uncommon shape of the oxide tip is evidenced and attributed to the embedded stress distribution, inherent to the oxidation reaction. Experimental and numerical studies of the internal strain in oxidized Al{sub x}Ga{sub 1−x}As/GaAs structures were carried out by dark-field electron holography and finite element methods. A mapping of the strain distribution around the AlGaAs/oxide interface demonstrates the main role of internal stress on the shaping of the oxide front. These results demonstrate the high relevance of strain in oxide-confined III-V devices, in particular, with over-500-nm thick AlOx confinement layers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Direct measurement of electron beam quality conversion factors using water calorimetry

Purpose: In this work, the authors describe an electron sealed water calorimeter (ESWcal) designed to directly measure absorbed dose to water in clinical electron beams and its use to derive electron beam quality conversion factors for two ionization chamber types. Methods: A functioning calorimeter prototype was constructed in-house and used to obtain reproducible measurements in clinical accelerator-based 6, 9, 12, 16, and 20 MeV electron beams. Corrections for the radiation field perturbation due to the presence of the glass calorimeter vessel were calculated using Monte Carlo (MC) simulations. The conductive heat transfer due to dose gradients and nonwater materials was also accounted for using a commercial finite element method software package. Results: The relative combined standard uncertainty on the ESWcal dose was estimated to be 0.50% for the 9–20 MeV beams and 1.00% for the 6 MeV beam, demonstrating that the development of a water calorimeter-based standard for electron beams over such a wide range of clinically relevant energies is feasible. The largest contributor to the uncertainty was the positioning (Type A, 0.10%–0.40%) and its influence on the perturbation correction (Type B, 0.10%–0.60%). As a preliminary validation, measurements performed with the ESWcal in a 6 MV photon beam were directly compared to results derived from the National Research Council of Canada (NRC) photon beam standard water calorimeter. These two independent devices were shown to agree well within the 0.43% combined relative uncertainty of the ESWcal for this beam type and quality. Absorbed dose electron beam quality conversion factors were measured using the ESWcal for the Exradin A12 and PTW Roos ionization chambers. The photon-electron conversion factor, k{sub ecal}, for the A12 was also experimentally determined. Nonstatistically significant differences of up to 0.7% were found when compared to the calculation-based factors listed in the AAPM’s TG-51 protocol. General agreement between the relative electron energy dependence of the PTW Roos data measured in this work and a recent MC-based study are also shown. Conclusions: This is the first time that water calorimetry has been successfully used to measure electron beam quality conversion factors for energies as low as 6 MeV (R{sub 50} = 2.25 cm)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Time-resolved temperature measurement and numerical simulation of millisecond laser irradiated silicon

Thermal process of 1064 nm millisecond pulsed Nd:YAG laser irradiated silicon was time-resolved temperature measured by an infrared radiation pyrometer, temperature evolutions of the spot center for wide range of laser energy densities were presented. The waveforms of temperature evolution curves contained much information about phase change, melting, solidification and vaporization. An axisymmetric numerical model was established for millisecond laser heating silicon. The transient temperature fields were obtained by using the finite element method. The numerical results of temperature evolutions of the spot center are in good agreement with the experimental results. Furthermore, the axial temperature distributions of the numerical results give a better understanding of the waveforms in the experimental results. The melting threshold, vaporizing threshold, melting duration, and melting depth were better identified by analyzing two kinds of results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Sequential lateral solidification of silicon thin films on low-k dielectrics for low temperature integration

We present the excimer laser crystallization of amorphous silicon on a low dielectric constant (low-k) insulator for very large scale integration monolithic 3D integration and demonstrate that low dielectric constant materials are suitable substrates for 3D integration through laser crystallization of silicon thin films. We crystallized 100 nm amorphous silicon on top of SiO{sub 2} and SiCOH (low-k) dielectrics, at different material thicknesses (1 μm, 0.75 μm, and 0.5 μm). The amorphous silicon crystallization on low-k dielectric requires 35% less laser energy than on an SiO{sub 2} dielectric. This difference is related to the thermal conductivity of the two materials, in agreement with one dimensional simulations of the crystallization process. We analyzed the morphology of the material through defect-enhanced microscopy, Raman spectroscopy, and X-ray diffraction analysis. SEM micrographs show that polycrystalline silicon is characterized by micron-long grains with an average width of 543 nm for the SiO{sub 2} sample and 570 nm for the low-k samples. Comparison of the Raman spectra does not show any major difference in film quality for the two different dielectrics, and polycrystalline silicon peaks are closely placed around 517 cm{sup −1}. From X-ray diffraction analysis, the material crystallized on SiO{sub 2} shows a preferential (111) crystal orientation. In the SiCOH case, the 111 peak strength decreases dramatically and samples do not show preferential crystal orientation. A 1D finite element method simulation of the crystallization process on a back end of line structure shows that copper (Cu) damascene interconnects reach a temperature of 70 °C or lower with a 0.5 μm dielectric layer between the Cu and the molten Si layer, a favorable condition for monolithic 3D integration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Enhanced sensitivity of hemoglobin sensor using dual-core photonic crystal fiber

A Hemoglobin (Hb) biosensor based on dual-core photonic crystal fiber is proposed and analyzed. In this paper, the effective refractive index dependency on the Hb concentration within a blood sample is utilized in obtaining the transmission spectrum variation. The results are calculated using full vectorial finite element method. Through this study, the effect of the structure geometrical parameters on the sensor performance is optimized to maximize the sensor sensitivity. The numerical results show a sensitivity of 8.013 nm/g/dL for the X-polarized mode at 3.7 cm fiber length and 7.68 nm/g/dL for the Y-polarized mode at 3.2 cm fiber length of the proposed sensor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Development of an Offshore Direct-Drive Wind Turbine Model by Using a Flexible Multibody Simulation (Poster)

Modern wind turbines are complex, highly-coupled systems. The dynamic interaction between various components is especially pronounced for multi-megawatt wind turbines. As a result, design process is generally split in several phases. First step consists of creating a global aero-elastic model that includes essential dynamics of structural components using the minimum-possible number of degrees of freedom (d.o.f.). The most important simplifications concern drivetrain and rotor-nacelle assembly (RNA). This approach has been shown valid for several wind turbine configurations. Nevertheless, with increasing size of wind turbines, any simplified design approach must be validated. The present work deals with the comparison and validation of the two modeling approaches for directdrive offshore wind turbines. ARNA/drivetrain model idealized as collection of lumped masses and springs is compared to a detailed Finite Element Method (FEM) based model. The comparison between models focuses on dynamic loads concerning drivetrain system. The comparison is performed in several operational conditions in order to explore the range of validity of the simplified model. Finally, the paper proposes a numerical-based workflow to assess the validity of simplified models of RNA/drivetrain in an aero-elastic global WT model.

17 WIND ENERGY↗
DOE OSTI2024

Characterization of latent image of electron beam resist via critical-dimension resonant soft X-ray scattering

Metrology plays a crucial role in semiconductor manufacturing by providing accurate and precise measurement and characterization of critical parameters. With the development of high-resolution extreme ultraviolet lithography (EUVL) processes, critical dimensions are shrinking to sub-10 nm. Resist materials encounter the challenge of providing heightened sensitivity and a handle on exacerbating stochastic variations. A comprehensive understanding of the chemical profile of the latent image is pivotal for mitigating stochastic effects and optimizing pattern quality. However, the subtle differences in chemistry between the exposed and unexposed regions of the resists make it extremely challenging to characterize the latent images with sub-nanometer precision. Here, we develop the metrology with critical-dimension resonant soft X-ray scattering (CD-RSoXS) to probe the chemical profiles of latent images stored in resist after exposure. The combination of absorption spectroscopy and enhanced scattering contrast makes it possible to characterize the subtle structural and chemical variations in the latent image. Moreover, the results of the measurements are compared with the simulations with a finite element method–based Maxwell solver to extract a detailed profile of the latent and developed images. We demonstrate that the CD-RSoXS technique can provide valuable insights into the high spatial resolution and local chemical sensitivity simultaneously, which is crucial to understanding the resolution limits and stochastic effects in EUVL processes.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Experimental and Numerical Investigations of Cyclic Plastic Deformation of Al-Mg Alloy

In this work, low-cycle fatigue (LCF) tests are performed on as-received and solution-treated Al-Mg alloy (AA 5754). Solution heat treatment of the as-received alloy is performed at 530 °C for 2 h and then quenched in water at room temperature. The low-cycle fatigue response of the as-received and solution-treated alloy is evaluated at five different strain amplitudes from 0.2 to 0.6%. The strain rate of 0.5 × 10{sup −3} s{sup −1} is kept constant in all the LCF tests. The LCF behavior of AA 5754 is modeled by finite element method (FEM) using Chaboche kinematic hardening cyclic plasticity model. Hardening behavior or fatigue life of as-received and solution-treated alloy is successfully simulated using this model. The results obtained by FEM simulations are compared with those obtained by LCF experiments. Microstructural studies are also performed for as-received and solution-treated alloy. The fracture surfaces obtained from LCF tests are analyzed by scanning electron microscopy.

36 MATERIALS SCIENCE↗