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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 OSTI2016

Solution of the C5G7 Benchmark using the MOCUM Transport Code with ANSYS Unstructured Mesh

The objective of this research is to use finite element analysis (FEA) software to perform the unstructured meshing for reactor geometries and port the mesh information to MOCUM code. This workflow takes the advantage of the mature meshing module of the mainstream FEA; reduces the development effort for nuclear codes; and increases the nuclear code accuracy by using high quality meshes. In this work, ANSYS is used to build the reactor model and perform the unstructured meshing. The mesh information is then imported to the MOCUM code, a method of characteristic (MOC) transport program supporting unstructured meshes, using a developed MATLAB script. This procedure is verified by modeling the C5G7 benchmark problem. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Effect of laser intensity and exposure time on photothermal therapy with nanoparticles heated by a 793-nm diode laser and tissue optical clearing

Laser-induced thermotherapy is a promising method for cancer treatment, the outcome of which is affected by the exposure time. An inappropriate exposure time and laser intensity cause incomplete tumour destruction, tumour regrowth, and metastasis. Also possible is irreversible damage, i.e. death of healthy cells, and so numerical models are necessary to provide an optimised laser intensity and exposure time for different cancerous tumours. In this study, a model based on finite element method (FEM) is used for solving the bio-heat transfer equation and the Arrhenius equation describing tissue damage. The cancerous tumour is considered as a perfect cylinder with a diameter of 20 mm and a thickness of 2, 3, 4, and 5 mm, filled up by highly absorbing nanoparticles and surrounded by healthy cylindrical tissue with a diameter of 40 mm and a length of 10 mm, which ahs a low scattering coefficient due to optical clearing. The results show that 243 s is a safe and appropriate exposure time when a diode laser with a wavelength of 793 nm and intensity of 0.75 W cm{sup −2} together with gold nanorods of concentration 0.0001 % is used for the treatment of a 3-mm-thick tumour. Then, the results are developed and extensive numerical simulations are used to reveal mathematical relationships between two critical parameters, input power and optimised exposure time, for a series of different tumour thicknesses. Treatment protocols are presented.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2015

Ultrasonic fingerprint sensor using a piezoelectric micromachined ultrasonic transducer array integrated with complementary metal oxide semiconductor electronics

This paper presents an ultrasonic fingerprint sensor based on a 24 × 8 array of 22 MHz piezoelectric micromachined ultrasonic transducers (PMUTs) with 100 μm pitch, fully integrated with 180 nm complementary metal oxide semiconductor (CMOS) circuitry through eutectic wafer bonding. Each PMUT is directly bonded to a dedicated CMOS receive amplifier, minimizing electrical parasitics and eliminating the need for through-silicon vias. The array frequency response and vibration mode-shape were characterized using laser Doppler vibrometry and verified via finite element method simulation. The array's acoustic output was measured using a hydrophone to be ∼14 kPa with a 28 V input, in reasonable agreement with predication from analytical calculation. Pulse-echo imaging of a 1D steel grating is demonstrated using electronic scanning of a 20 × 8 sub-array, resulting in 300 mV maximum received amplitude and 5:1 contrast ratio. Because the small size of this array limits the maximum image size, mechanical scanning was used to image a 2D polydimethylsiloxane fingerprint phantom (10 mm × 8 mm) at a 1.2 mm distance from the array.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Simulation Analysis of Geometry and Material Effects for Dropkinson Bar

The reported research is motivated by the need to address a key issue affecting the Dropkinson bar apparatus. This unresolved issue is the interference of the stress wave reflected from the bar-beam boundary with the measurement of the stress-strain response of a material tested in the apparatus. The purpose of the wave beam that is currently connected to the bar is to dissipate the stress wave, but the portion of the wave reflected from the bar-beam boundary is still significant. First, we focused on understanding which parameters affect the reflected wave's arrival time at a strain gauge. Specifically, we used finite-element numerical simulations with the Sierra/SM module to study the effects of various bar-beam connection fixities, alternative wave beam materials, and alternative geometries of the Dropkinson bar system based on a monolithic design. The conclusion of this study is that a partial reflection always occurs at the bar-beam boundary (or, for a monolithic design, at a point where the bar geometry changes). Therefore, given a fixed total length of the bar, it is impossible to increase the reflected wave's arrival time by any significant amount. After reaching this conclusion, we focused instead on trying to minimize the energy of the reflected stress wave circulating up and down through the bar over a relatively long period of time (10 ms). Once again, we used numerical simulations with the Sierra/SM module to investigate the effects of various bar-beam connection fixities, alternative wave beam materials, and parameters of an asymmetric monolithic design of the bar-and-beam system. This study demonstrated that various parameters can significantly affect the energy of the wave reflections, with the difference between best and worst configurations being about one order of magnitude in terms of energy. Based on the obtained results, we conclude with concrete takeaways for Dropkinson bar users and propose potential directions for future research and optimization.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Modeling the 4D discharge of lithium-ion batteries with a multiscale time-dependent deep learning framework

The lithium-ion battery (LIB) field is moving towards the direction of investigating spatially resolved physical phenomena in the 3D porous microstructure of electrodes. These pore-scale simulations give new insights into the local dynamics of lithiation/de-lithiation and charge transport, Nevertheless, the computational time of these simulations limits the integration of these models in optimization workflows of cycling conditions or electrode manufacturing processes. Machine learning models present a way of assessing in real-time the performance of materials. While several successful techniques for replicating simulations with machine learning have been proposed, this case study presents a more demanding problem, due to the necessity of understanding the behavior of heterogeneous 3D local data, as it evolves in time: this poses both a scientific and a technical challenge. To this end, we propose an autoregressive multiscale convolutional neural network model to predict relevant quantities at the pore-scale in the solid phase: the lithium concentration (in the active material) and potential (in the active material and carbon binder). Here, these are ultimately used to reconstruct the battery discharge curve. 3D images of the electrode microstructures are the input to the network, trained with a dataset of finite element method simulations to predict the discharge behavior of the cathode side in lithium ion batteries. We propose this machine learning model as a proof-of-concept of the applicability of multiscale networks for time-dependent physics problems. The trained model exhibits very high accuracy (with errors lower than 2 %) in forecasting the discharge behavior of new unseen cathodes.

25 ENERGY STORAGE↗
DOE OSTI2018

On the microstructure characterization of the AA2098-T351 alloy welded by FSW

Highlights: • The microstructural characterization of the AA2098-T351 Al-Cu-Li alloy welded by FSW was carried out. • There was strong correlation between the results of the various techniques. • DSC was an effective technique for characterization of GP zones complementing the microstructural characterization by TEM. - Abstract: The complex structure of the AA2098-T351 alloy welded by friction stir welding (FSW) was investigated by transmission electron microscopy (TEM), differential scanning calorimetry (DSC) and microhardness measurements. Thermal modelling process of the FSW process was carried out by soldering thermocouples at distances of 6, 9 and 12 mm from the weld centerline, and thermocouple measurements were used as input data into the model. Finite element software COMSOL v5.2 was used for data analysis. The prevailing phases in the base metal (BM) are T1 (Al{sub 2}CuLi) θ′ (Al{sub 2}Cu), δ′/β′(Al{sub 3}(Li,Zr)) and Ω (Al{sub 2}Cu). In the heat affected zone (HAZ), either in the retreating or advancing sides, θ′ phase was not identified. In the thermomechanical affected zone (TMAZ), T1, δ′/β′, GP zones phase were detected in the retreating side, whereas T1 and Guinier-Preston (GP) zones were not observed in the advancing side. This result supports the asymmetric behavior observed in the microhardness profile of the weld. In the stir zone (SZ), GP zones, T1, δ′/β′ (Al{sub 3}(Li,Zr)) and Ω were identified.

36 MATERIALS SCIENCE↗
DOE OSTI2019

NONLINEAR SOIL-STRUCTURE INTERACTION ANALYSIS USING CO-SIMULATION

Nonlinear soil-structure interaction (NLSSI) analysis methods are currently being developed at Idaho National Laboratory. Appendix B in ASCE (2016) includes a framework for performing NLSSI analysis. For NLSSI analysis to be widely implemented in industry, it is important to demonstrate that accurate response in dynamically loaded, nonlinear models can be achieved in an efficient manner. Both explicit and implicit dynamic solvers are applicable to NLSSI. When considering cpu time, an explicit dynamic solver is often desirable for large models with no features (e.g. small elements, stiff elements, or stiffness damping) that can drive the time step unreasonably small. An implicit dynamic solver may be desirable in models not well suited for an explicit solver. A further option is co-simulation where a portion of the model is run with an explicit dynamic solver and the rest of the model is run with an implicit dynamic solver. This study explores NLSSI examples where co-simulation could be the most cpu efficient modelling strategy.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2020

Modeling Stress-Induced Pore Water Pressures in The Vadose Zone Beneath a Composite-Lined Landfill - 20029

A finite-element model was developed to evaluate mechanisms contributing to positive pore pressures measured with sealed pressure transducers in the geological buffer beneath the Environmental Management Waste Management Facility, a composite-lined mixed waste disposal facility operated by the US Department of Energy. The geological buffer is a 3-m-thick engineered fine-textured layer directly beneath the Environmental Management Waste Management Facility's composite liner, and above the groundwater table. The model accounts for changes in pore water pressure resulting from (i) loading imposed by waste placed on the overlying liner, (ii) moistening of the geological buffer due to equilibration with the underlying geological materials, and (iii) fluctuations in the elevation of the underlying groundwater table. Pore water pressures predicted by the model are in good agreement with pore water pressures measured in the field. The predictions confirm that positive pore water pressures recorded by the sealed pressure transducers in the geological buffer are excess pore water pressures induced by the vertical normal stress imposed by waste placed on the liner, and are not due to a rise in the groundwater table. Simulations also showed that two additional years of filling would further increase the pore water pressure without any change in elevation of the groundwater table. The geological buffer remained unsaturated during the simulation, with a B-coefficient (parameter indicative of the degree of saturation) similar to that computed from the field-measured pore water pressures and waste filling records. Larger increases in pore water pressure were observed when the geological buffer was assumed to have higher initial saturation, as was observed in the field data. Incorporating seasonal fluctuations in the groundwater table beneath the geological buffer in the model resulted in predictions of small seasonal oscillation in the pore water pressure at the measurement location, similar to seasonal oscillations observed in the field. Predictions made with the model indicate that the dissipation of the excess pore water pressures will occur over decades due to the low hydraulic conductivity of the geological buffer material. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Influence of Initial fabric and water-wetting on particle fracture and force chain evolution in natural silica sand

Particle fracture has a significant influence on the engineering behavior of granular materials. However, the combined influence of the initial fabric and wetting on particle fracture and force chain evolution in granular materials, particularly in sands, remains insufficiently explored in the current literature. Here, in this paper, one-dimensional (1D) confined compression experiments were conducted on dry and wet specimens, and particle-level fracture was captured using three-dimensional (3D) in-situ Synchrotron Micro-Computed Tomography (SMT). A quantitative assessment of particle fracture revealed that wet specimens, which have disturbed fabric, exhibited a higher fracture percentage in comparison to dry specimens. Complementary 3D finite element (FE) simulations were performed using dry and wet (only solid fabric was considered and the influence of pore water is not considered) sand assemblies to assess interparticle contact forces and particle-scale stress distributions within the specimens. Force chain analysis was subsequently conducted, encompassing quantification of interparticle forces, characterization of force network structures, and monitoring the dynamic evolution of force chains under different strain levels. The results show that the specimens with disturbed fabric led to a more dynamic and less persistent force network, more fabric instability, and thus more reorganization of force chain structures. In addition, the frequent rearrangement of the force network in the presence of water (with reduced inter-particle contact friction) likely exacerbates localized stress concentrations, promoting failure in previously unengaged or weakly connected particles. The results reported in this paper offer a new insight into how the initial fabric and wetting cause different fracture behavior. The findings can also pave the way for more in-depth future investigations into the mechanics governing particle fracture in granular assemblies.

Finite element analysis↗
NASA NTRS2010

Diamond Heat-Spreader for Submillimeter-Wave Frequency Multipliers

The planar GaAs Shottky diode frequency multiplier is a critical technology for the local oscillator (LO) for submillimeter- wave heterodyne receivers due to low mass, tenability, long lifetime, and room-temperature operation. The use of a W-band (75-100 GHz) power amplifier followed by a frequency multiplier is the most common for submillimeter-wave sources. Its greatest challenge is to provide enough input power to the LO for instruments onboard future planetary missions. Recently, JPL produced 800 mW at 92.5 GHz by combining four MMICs in parallel in a balanced configuration. As more power at W-band is available to the multipliers, their power-handling capability be comes more important. High operating temperatures can lead to degradation of conversion efficiency or catastrophic failure. The goal of this innovation is to reduce the thermal resistance by attaching diamond film as a heat-spreader on the backside of multipliers to improve their power-handling capability. Polycrystalline diamond is deposited by hot-filament chemical vapor deposition (CVD). This diamond film acts as a heat-spreader to both the existing 250- and 300-GHz triplers, and has a high thermal conductivity (1,000-1,200 W/mK). It is approximately 2.5 times greater than copper (401 W/mK) and 20 times greater than GaAs (46 W/mK). It is an electrical insulator (resistivity approx. equals 10(exp 15) Ohms-cm), and has a low relative dielectric constant of 5.7. Diamond heat-spreaders reduce by at least 200 C at 250 mW of input power, compared to the tripler without diamond, according to thermal simulation. This superior thermal management provides a 100-percent increase in power-handling capability. For example, with this innovation, 40-mW output power has been achieved from a 250-GHz tripler at 350-mW input power, while the previous triplers, without diamond, suffered catastrophic failures. This breakthrough provides a stepping-stone for frequency multipliers-based LO up to 3 THz. The future work for this design is to apply the high output power from both the 250 and 300 GHz to multiple chains in order to generate milliwatts at 2.3 THz. Using the first generation of results for this innovation, 40 mW of output power were produced from a 240-GHz tripler at 350-mW input power, and 27- mW output power was produced from a 300-GHz tripler at 408-mW input power. This is two times higher than the current state-of-the-art output power capability. A finite-element thermal simulation also shows that 30-microns thick diamond dropped the temperature of the anodes by at least 200 C.

Lin, Robert H.↗
DOE OSTI2019

X-ray mirror surface figure correction with nanometre precision controlled by layer stresses simulated by FEA

Hard X-rays with energies higher than several kiloelectronvolts can be focused to spot sizes below 10 nm with the present synchrotron beamlines, offering unique advantages for the chemical, elemental and structure analysis of matter. Nevertheless, a surface precision on the nanometre scale for the focusing optics is required and remains the main hurdle limiting X-ray analytical techniques with single-nanometre spatial resolution. On the other hand, to preserve the wavefront properties of coherent X-ray beams, precise control of the reflective mirror surface quality at the nanometre scale is demanded for X-ray free-electron laser applications. In this work, the surface shape of a multilayer-coated X-ray mirror is controlled by layer stresses. The desired surface profile of the mirror is differentiated to its second order to obtain its corresponding curvature profile. With a step size of 1 mm along the mirror length, different coating thicknesses are applied to create different layer thermal stresses from uniform temperature change. The mirror surface profile can be obtained by integrating the curvature profile to its second order and further corrected by moving constant values for the slope and height. The technical process is simulated by finite element analysis (FEA). A case study showed that the residual slope error and the residual height error between the desired shape and the FEA result are 0.22 µrad (r.m.s.) and 1.42 nm (r.m.s.), respectively.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Large scale polymer toughening of two-dimensional materials revealed by in situ TEM fracture tests and multiscale simulations

Two-dimensional (2D) materials offer significant potential for applications in energy-harvesting devices, batteries, sensors, and transistors. However, their intrinsic brittleness makes them prone to mechanical failure, limiting their practical use. In this work, we perform in situ transmission electron microscopy (TEM) fracture tests on monolayer MoSe2 and uncover an extrinsic toughening effect induced by an ultrathin adsorbed polystyrene adlayer. This adlayer substantially enhances the fracture resistance of the 2D flakes. Through a combination of molecular dynamics simulations and finite element analysis, we elucidate the molecular mechanism behind this toughening effect. Further, it arises from the active crack-bridging behavior of entangled polymer chains and the formation of a fracture process zone that stabilizes crack propagation and increases the energy required for crack extension. The proposed toughening mechanism offers a pathway to improving the mechanical reliability of 2D material-based devices by mitigating the risk of sudden failure.

2D materials↗
DOE OSTI2019

Efficient Simulation and Abuse Modeling of Mechanical-Electrochemical-Thermal Phenomena in Li-Ion Batteries

This poster covered simultaneous coupling of electrochemical-thermal models with mechanical deformation in lithium ion batteries. Efficiency and stability of mechanical models was significantly enhanced by implementing electrochemical models into LS-DYNA using User-Defined Elements. Six case studies were built and licensed out to participants from Industry for initial testing and their feedback is being incorporated into these tools. Dynamic response of the cells was incorporated by measuring mechanical response of components at strain rates as high as 250 /s. Temperature range for property measurements was expanded (as high as 200 degrees C) to account for property changes at high temperatures experienced by cell components under battery abuse. Multi-cell validation has been expanded to include four different sets of experimental data, with support from various partners. Complex failure modes and fracture response are currently being investigated. These are still very challenging, given the limited amount of prior work available in the literature.

25 ENERGY STORAGE↗
DOE OSTI2026

An Anisotropic Yield and Damage Material Model to Improve the Contact Pressure Analysis in a Biomass Shredding System

Size reduction systems used in biomass processing break biomass into smaller pieces by utilizing the kinetic energy from the sharp rotating blades. Abrasive and/or erosive wear caused by biomass comminution results in blade wear of the sharp edged cutters, deteriorating the process efficiency. Here, this study aims to optimize the blade design and improve the system efficiency by attempting to understand the interactions between the blades and biomass particles. Since real-time monitoring of these interactions is impractical during operation, mechanical simulations offer a viable alternative for investigating the shredding process. Yet, the irregular geometry and complex mechanical properties of biomass—such as the anisotropic nature of woodchips and their nonlinear fracture behavior—pose significant challenges for accurately simulating contact pressure. In this work an anisotropic yield material model, along with a damage initiation and evolution function, is applied to the woodchip particle to study the contact pressure on shredder blade, offering a scientific basis for improved blade design and process efficiency. This approach can be extended to other biomass processing systems with similar anisotropic feedstocks, making it a valuable tool for advancing sustainable biomass utilization.

09 - BIOMASS FUELS↗
DOE OSTI2019

Development of a Modeling Approach to Describe Thermal Conductivity of Prototypic SiC-SiC tubes for LWR Fuel Cladding

SiC-SiC composites are a promising material intended to be used as a for fuel cladding for Light Water Reactors (LWRs). This material has a high steam oxidation resistance, high strength and low neutron cross section. Thermal conductivity is one of the most important physical properties for assessing the performance of SiC based fuel cladding. However, there is a significant lack of data for tube materials because measurement is challenging owing to the specimen geometry. This report summarizes the modeling methodology, experimental methodologies and software that will be used to study the thermal conductivity of different SiC-SiC composite tubes. The proposed experiments described here, are directed to create a baseline of thermal conductivity values to validate experimental simulations. In order to obtain the thermal conductivity of these materials the Laser Flash Analysis (LFA) will be implemented to obtain the thermal diffusivity of flat and sections of round shape specimens. Thermal diffusivity experiments will be complemented by Finite Element Method (FEM) simulations and a branch of this methodology known as Image-Based Finite Element Method (IBFEM). The FEM simulations will help to identify the possible limitations of experimental measurements in round shape specimens and verify the results of experiments in flat shape samples. The results of the IBFEM will help to quantify the possible effects of porosity in SiC-SiC composites. The findings of the aforementioned activities will be also applied to SiC-SiC neutron irradiated tube samples in order to capture the damage produced by this ageing mechanism.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Identifying crack tip position and stress intensity factors from displacement data

Fracture prognosis and characterization efforts require knowledge of crack tip position and the Stress Intensity Factors (SIFs) acting in the vicinity of the crack. Here, in this work, we present an efficient numerical approach to infer both of these characteristics under a consistent theoretical framework from noisy, unstructured displacement data. The novel approach utilizes the separability of the asymptotic linear elastic fracture mechanics fields to expedite the search for crack tip position and is particularly useful for noisy displacement data. The manuscript begins with an assessment of the importance of accurately locating crack tip position when quantifying the SIFs from displacement data. Next, the proposed separability approach for quickly inferring crack tip position is introduced. Comparing to the widely used displacement correlation approach, the performance of the separability approach is assessed. Cases involving both noisy data and systematic deviation from the asymptotic linear elastic fracture mechanics model are considered, e.g. inelastic material behavior and finite geometries. An open source python implementation of the proposed approach is available for use by those doing field and laboratory work involving digital image correlation and simulations, e.g. finite element, discrete element, molecular dynamics and peridynamics, where the crack tip position is not explicitly defined.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Determination of the Frictional Behavior at Compaction of Powder Materials Consisting of Spray-Dried Granules

The frictional behavior during powder compaction and ejection is studied using an instrumented die with eight radial sensors. The average friction over the total powder pillar is used to determine a local friction coefficient at each sensor. By comparing forces at compaction with forces at ejection, it can be shown that the Coulomb’s friction coefficient can be described as a function of normal pressure. Also stick phenomena has been investigated in order to assess its influence on the determination of the local friction coefficient.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Investigation of the Performance of Flow Models for TWIP Steel

Modeling of metal processing requires constitutive laws able to represent the experimental material behavior. Of the large number of available empirical constitutive equations, only a subset may be fitted accurately to given experimental data. The present work is aimed at identifying the equations that can be used to model the ambient temperature mechanical behavior of high Mn twinning-induced plasticity (TWIP) steels. These are fitted to experimental data for TWIP900 and further compared in terms of their ability to predict springback. The reference springback value is determined experimentally for the same material. The study provides guidelines for the selection of the constitutive model in forming simulations for this type of steel.

36 MATERIALS SCIENCE↗