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At least 271 records · Page 15

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DOE OSTI2021

A variational phase-field model For ductile fracture with coalescence dissipation

A novel phase-field model for ductile fracture is presented. The model is developed within a consistent variational framework in the context of finite-deformation kinematics. A novel coalescence dissipation introduces a new coupling mechanism between plasticity and fracture by degrading the fracture toughness as the equivalent plastic strain increases. The proposed model is compared with a recent alternative where plasticity and fracture are strongly coupled. Several representative numerical examples motivate specific modeling choices. In particular, a linear crack geometric function provides an “unperturbed” ductile response prior to crack initiation, and Lorentz-type degradation functions ensure that the critical fracture strength remains independent of the phase-field regularization length. In addition, the response of the model is demonstrated to converge with a vanishing phase-field regularization length. Additionally, the model is then applied to calibrate and simulate a three-point bending experiment of an aluminum alloy specimen with a complex geometry. The effect of the proposed coalescence dissipation coupling on simulations of the experiment is first investigated in a two-dimensional plane strain setting. The calibrated model is then applied to a three-dimensional calculation, where the calculated load-deflection curves and the crack trajectory show excellent agreement with experimental observations. Finally, the model is applied to simulate crack nucleation and growth in a specimen from a recent Sandia Fracture Challenge.

42 ENGINEERING↗

DOE OSTI2021

Microemulsions in the driven Widom-Rowlinson lattice gas

An investigation of the two-dimensional Widom-Rowlinson lattice gas under an applied drive uncovered a remarkable nonequilibrium steady state in which uniform stripes (reminiscent of an equilibrium lamellar phase) form perpendicular to the drive direction [R. Dickman and R. K. P. Zia, Phys. Rev. E 97, 062126 (2018)]. Here we study this model at low particle densities in two and three dimensions, where we find a disordered phase with a characteristic length scale (a “microemulsion”) along the drive direction. Further we develop a continuum theory of this disordered phase to derive a coarse-grained field-theoretic action for the nonequilibrium dynamics. The action has the form of two coupled driven diffusive systems with different characteristic velocities, generated by an interplay between the particle repulsion and the drive. We then show how fluctuation corrections in the field theory may generate the characteristic features of the microemulsion phase, including a peak in the static structure factor corresponding to the characteristic length scale. This work lays the foundation for understanding the stripe phenomenon more generally.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Hybrid Dynamic Modeling of Smart Inverter

This letter proposes a novel hybrid method for assessing grid-connected three-phase converter interfaced resources (CIR) dynamics with the IEEE standard 1547-2018 grid support functions (GSFs), which blends physics and data-driven techniques. First, the letter derives an analytical model of a CIR to represent the internal physics and data-driven model (DDM) using a system identification algorithm to represent the rest of the dynamics, including the GSF. The derived hybrid model combines the analytical model of CIR and DDM, which balances accuracy and flexibility and is compared with the detailed switched model. Furthermore, the efficacy of the proposed approach to represent the advanced CIR dynamics is substantiated by power hardware-in-the-loop experiment data where real measurements from a commercial CIR are used to cross-validate the proposed approach. Furthermore, the results indicate that despite simple, the hybrid model accurately reproduces the dynamics of the detailed CIR model with an acceptable accuracy.

Data-driven model↗

NASA NTRS2013

Micromechanics Fatigue Damage Analysis Modeling for Fabric Reinforced Ceramic Matrix Composites

A micromechanics analysis modeling method was developed to analyze the damage progression and fatigue failure of fabric reinforced composite structures, especially for the brittle ceramic matrix material composites. A repeating unit cell concept of fabric reinforced composites was used to represent the global composite structure. The thermal and mechanical properties of the repeating unit cell were considered as the same as those of the global composite structure. The three-phase micromechanics, the shear-lag, and the continuum fracture mechanics models were integrated with a statistical model in the repeating unit cell to predict the progressive damages and fatigue life of the composite structures. The global structure failure was defined as the loss of loading capability of the repeating unit cell, which depends on the stiffness reduction due to material slice failures and nonlinear material properties in the repeating unit cell. The present methodology is demonstrated with the analysis results evaluated through the experimental test performed with carbon fiber reinforced silicon carbide matrix plain weave composite specimens.

Min, J. B.↗

NASA NTRS1983

Structure of Evaporating and Combusting Sprays: Measurements and Predictions

Complete measurements of the structure of nonevaporating, evaporating and combusting sprays for sufficiently well defined boundary conditions to allow evaluation of models of these processes were obtained. The development of rational design methods for aircraft combustion chambers and other devices involving spray combustion were investigated. Three methods for treating the discrete phase are being considered: a locally homogeneous flow (LHF) model, a deterministic separated flow (DSF) model, and a stochastic separated flow (SSF) model. The main properties of these models are summarized.

Shuen, J. S.↗

NASA NTRS2007

Evaluating Trauma Sonography for Operational Use in the Microgravity Environment

Sonography is the only medical imaging modality aboard the ISS, and is likely to remain the leading imaging modality in future human space flight programs. While trauma sonography (TS) has been well recognized for terrestrial trauma settings, the technique had to be evaluated for suitability in space flight prior to adopting it as an operational capability. The authors found the following four-phased evaluative approach applicable to this task: 1) identifying standard or novel terrestrial techniques for potential use in space medicine; 2) developing and testing these techniques with suggested modifications on the ground (1g) either in clinical settings or in animal models, as appropriate; 3) evaluating and refining the techniques in parabolic flight (0g); and 4) validating and implementing for clinical use in space. In Phase I of the TS project, expert opinion and literature review suggested TS to be a potential screening tool for trauma in space. In Phase II, animal models were developed and tested in ground studies, and clinical studies were carried out in collaborating trauma centers. In Phase III, animal models were flight-tested in the NASA KC-135 Reduced Gravity Laboratory. Preliminary results of the first three phases demonstrated potential clinical utility of TS in microgravity. Phase IV studies have begun to address crew training issues, on-board imaging protocols, and data transfer procedures necessary to offer the modified TS technique for space use.

Kirkpatrick, Andrew W.↗

NASA NTRS2007

Optimal Electrodynamic Tether Phasing Maneuvers

We study the minimum-time orbit phasing maneuver problem for a constant-current electrodynamic tether (EDT). The EDT is assumed to be a point mass and the electromagnetic forces acting on the tether are always perpendicular to the local magnetic field. After deriving and non-dimensionalizing the equations of motion, the only input parameters become current and the phase angle. Solution examples, including initial Lagrange costates, time of flight, thrust plots, and thrust angle profiles, are given for a wide range of current magnitudes and phase angles. The two-dimensional cases presented use a non-tilted magnetic dipole model, and the solutions are compared to existing literature. We are able to compare similar trajectories for a constant thrust phasing maneuver and we find that the time of flight is longer for the constant thrust case with similar initial thrust values and phase angles. Full three-dimensional solutions, which use a titled magnetic dipole model, are also analyzed for orbits with small inclinations.

Bitzer, Matthew S.↗

NASA NTRS2019

Constraining Stellar Parameters and Atmospheric Dynamics of the Carbon AGB star V Oph

Molecules and dust produced by the atmospheres of cool evolved stars contribute to a significant amount of the total material found in the interstellar medium. To understand the mechanism behind the mass loss of these stars, it is of pivotal importance to investigate the structure and dynamics of their atmospheres. Our goal is to verify if the extended molecular and dust layers of the carbon-rich asymptotic giant branch (AGB) star V Oph, and their time variations, can be explained by dust-driven winds triggered by stellar pulsation alone, or if other mechanisms are in play. We model V Oph mid-infrared interferometric VLTI-MIDI data (8–13 μm), at phases 0.18, 0.49, and 0.65, together with literature photometric data, using the latest-generation self-consistent dynamic atmosphere models for carbon-rich stars: DARWIN. We determine the fundamental stellar parameters: T(eff) = 2600 K, L(bol) = 3585 L⊙, M = 1.5 M⊙, C/O = 1.35, Mass flow rate= 2.50 x 10(exp -6) M⊙/yr. We calculate the stellar photospheric radii at the three phases: 479, 494, 448 R⊙; and the dust radii: 780, 853, 787 R⊙. The dynamic models can fairly explain the observed N-band visibility and spectra, although there is some discrepancy between the data and the models, which is discussed in the text. We discuss the possible causes of the temporal variations of the outer atmosphere, deriving an estimate of the magnetic field strength, and computing upper limits for the Alfvén waves velocity. In addition, using period–luminosity sequences, and interferometric modeling, we suggest V Oph as a candidate to be reclassified as a semi-regular star.

Gioia Rau↗

DOE OSTI2024

Analytical Modeling of Metal Foam Composite Phase Change Materials (PCM) in Thermal Energy Storage Using Asymptotic Analysis

The use of phase change materials (PCMs) for thermal energy storage can release or absorb a significant amount of latent heat during the freezing or melting process, offering a higher energy storage density. One of the main drawbacks of PCMs is their low thermal conductivity, resulting in poor thermal performance. Recent research has attempted to enhance heat transfer and increase the thermal conductivity of PCMs, including the use of metal foams. However, modeling the metal foam composite PCM using conventional methods is computationally expensive. This paper proposes an asymptotic solution for a Stefan-like problem subject to a convective boundary for outward solidification in a hollow cylinder, capable of predicting the freeze-melt cycle of the metal foam composite PCM. Specifically, three temporal regimes and four spatial layers are considered in the asymptotic analysis for each phase change process. The thermal conductivity is calculated by a theoretical three-dimensional tetrakaidecahedron model, while other thermophysical properties are obtained using the method of volume averaging. The results are verified with numerical data and validated against experimental data in the literature. The presented analytical modeling framework could have the potential to be applied to other types of composite PCMs with considerably lower computational costs compared with conventional methods.

analytical model↗

NASA NTRS2018

ENSO Related Inter-Annual Lightning Variability from the Full TRMM LIS Lightning Climatology

The El Nino/Southern Oscillation (ENSO) contributes to inter-annual variability of lightning production more than any other atmospheric oscillation. This study further investigated how ENSO phase affects lightning production in the tropics and subtropics using the Tropical Rainfall Measuring Mission (TRMM) Lightning Imaging Sensor (LIS). Lightning data were averaged into mean annual warm, cold, and neutral 'years' for analysis of the different phases and compared to model reanalysis data. An examination of the regional sensitivities and preliminary analysis of three locations was conducted using model reanalysis data to determine the leading convective mechanisms in these areas and how they might respond to the ENSO phases

enso↗

NASA NTRS2010

Experimental Space Shuttle Orbiter Studies to Acquire Data for Code and Flight Heating Model Validation

In an experimental study to obtain detailed heating data over the Space Shuttle Orbiter, CUBRC has completed an extensive matrix of experiments using three distinct models and two unique hypervelocity wind tunnel facilities. This detailed data will be employed to assess heating augmentation due to boundary layer transition on the Orbiter wing leading edge and wind side acreage with comparisons to computational methods and flight data obtained during the Orbiter Entry Boundary Layer Flight Experiment and HYTHIRM during STS-119 reentry. These comparisons will facilitate critical updates to be made to the engineering tools employed to make assessments about natural and tripped boundary layer transition during Orbiter reentry. To achieve the goals of this study data was obtained over a range of Mach numbers from 10 to 18, with flight scaled Reynolds numbers and model attitudes representing key points on the Orbiter reentry trajectory. The first of these studies were performed as an integral part of Return to Flight activities following the accident that occurred during the reentry of the Space Shuttle Columbia (STS-107) in February of 2003. This accident was caused by debris, which originated from the foam covering the external tank bipod fitting ramps, striking and damaging critical wing leading edge heating tiles that reside in the Orbiter bow shock/wing interaction region. During investigation of the accident aeroheating team members discovered that only a limited amount of experimental wing leading edge data existed in this critical peak heating area and a need arose to acquire a detailed dataset of heating in this region. This new dataset was acquired in three phases consisting of a risk mitigation phase employing a 1.8% scale Orbiter model with special temperature sensitive paint covering the wing leading edge, a 0.9% scale Orbiter model with high resolution thin-film instrumentation in the span direction, and the primary 1.8% scale Orbiter model with detailed thin-film resolution in both the span and chord direction in the area of peak heating. Additional objectives of this first study included: obtaining natural or tripped turbulent wing leading edge heating levels, assessing the effectiveness of protuberances and cavities placed at specified locations on the orbiter over a range of Mach numbers and Reynolds numbers to evaluate and compare to existing engineering and computational tools, obtaining cavity floor heating to aid in the verification of cavity heating correlations, acquiring control surface deflection heating data on both the main body flap and elevons, and obtain high speed schlieren videos of the interaction of the orbiter nose bow shock with the wing leading edge. To support these objectives, the stainless steel 1.8% scale orbiter model in addition to the sensors on the wing leading edge was instrumented down the windward centerline, over the wing acreage on the port side, and painted with temperature sensitive paint on the starboard side wing acreage. In all, the stainless steel 1.8% scale Orbiter model was instrumented with over three-hundred highly sensitive thin-film heating sensors, two-hundred of which were located in the wing leading edge shock interaction region. Further experimental studies will also be performed following the successful acquisition of flight data during the Orbiter Entry Boundary Layer Flight Experiment and HYTHIRM on STS-119 at specific data points simulating flight conditions and geometries. Additional instrumentation and a protuberance matching the layout present during the STS-119 boundary layer transition flight experiment were added with testing performed at Mach number and Reynolds number conditions simulating conditions experienced in flight. In addition to the experimental studies, CUBRC also performed a large amount of CFD analysis to confirm and validate not only the tunnel freestream conditions, but also 3D flows over the orbiter acreage, wing leading edge, and controlurfaces to assess data quality, shock interaction locations, and control surface separation regions. This analysis is a standard part of any experimental program at CUBRC, and this information was of key importance for post-test data quality analysis and understanding particular phenomena seen in the data. All work during this effort was sponsored and paid for by the NASA Space Shuttle Program Office at the Johnson Space Center in Houston, Texas.

Wadhams, T. P.↗

DOE OSTI2026

Disordered hydrogen adsorption at the three-fold site of W(110)

Hydrogen often forms disordered phases on metals; however, deciphering the atomic-scale behavior requires experimental and modeling techniques that directly probe the short-range order between neighboring hydrogen adsorbates. Here, to address this challenge, we applied direct recoil spectroscopy (DRS) to investigate hydrogen adsorption on the W(110) surface. We show that the recoiled hydrogen flux measured during DRS is sensitive to the short range order of the adsorbed hydrogen. Ordered hydrogen neighbors are much more efficient at dechanneling incident ions along low-index surface channels, strongly suppressing the recoiled hydrogen flux along these directions. By modeling the DRS measurements with molecular dynamics for ordered and disordered hydrogen phases, we find that at a hydrogen surface coverage of approximately Θ = 0.6, the hydrogen adsorbates are bound to three-fold sites in a disordered phase at room temperature. This finding is consistent with transfer-matrix scaling model calculations that suggest the transition to an ordered hydrogen phase occurs at a greater surface coverage of Θ = 0.83.

08 HYDROGEN↗

DOE OSTI2025

Understanding coarsening of a post-corrosion microstructure in a molten salt by combining phase-field modeling and in situ tomography

Alloys corroding in molten salt have been observed to form bicontinuous, nanoporous microstructures via dealloying, which subsequently undergo coarsening due to facile transport in high-temperature conditions. In this work, we describe a methodology to elucidate the underlying transport mechanisms during coarsening of a bicontinuous microstructure via quantitative comparisons between phase-field simulations and four-dimensional in situ experiments, in this case X-ray nanotomography of the coarsening of a dealloyed 80 wt% Ni-20 wt% Cr microwire in molten KCl-MgCl 2 at 800°C. We conduct phase-field simulations initialized from experimental data to model coarsening via three different transport mechanisms: surface diffusion, solid bulk diffusion, and liquid bulk diffusion. These simulations reproduce key features of the experiment, such as the densification of the outer layer of the dealloyed wire and the reduction in radius over time. We quantitatively compare different microstructural characteristics between the simulations and experiment and extract temporal scaling factors that optimally match the time scales of the simulations to that of the experiment. This allows us to evaluate morphological similarity between the simulations and experiment and relate the experimental coarsening kinetics to fundamental material properties. We find that surface diffusion is most likely to be the dominant coarsening mechanism, and its kinetics imply a surface diffusivity of D S = 8.9 x 10 -20 m 3 /s, which is within the range of reported values for Ni-vacuum interfaces at 800°C. However, the difference between the experiment and the surface diffusion simulation increases substantially at late times, suggesting that other mechanisms, such as the dissolution of residual Cr, may be at play.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Thermal Conductivity Degradation in High Burnup U-Pu-Zr Fuel

Recent advancements in the characterization of irradiated U-Pu-Zr fuels have revealed complexities that challenge existing understanding of constituent redistribution. Traditionally, models have proposed three concentric regions within the fuel, each characterized by distinctive phases and porosity. However, through detailed analysis of high burnup U-Pu-Zr, we discovered the presence of four distinct constituent redistribution regions. Particularly novel is the observation of significant Pu redistribution, a previously unreported phenomenon that necessitates a reevaluation of current models. This work aims to delve deeper into these findings, seeking to correlate mesoscale measurements of thermal diffusivity and respective thermal conductivity with the phases present in each redistribution region. To achieve this objective, we employed mesoscale thermoreflectance methods using the unique, Idaho National Laboratory (INL) developed, Thermal Conductivity Microscope (TCM) at INL’s Irradiated Materials Characterization Laboratory. The TCM employs two tightly focused lasers: one for heating to generate periodic thermal waves in the substrate, and another spatially separated probe laser to detect changes in the optical reflectivity of the gold-coated substrate resulting from thermal wave diffusion. We conducted several thermal diffusivity measurements within each region of constituent redistribution of a U-19Pu-10Zr fuel pin cross section irradiated to 11 at. % burnup. The TCM measurement positions strategically aligned with transmission electron microscopy (TEM) lift-out locations previously collected from the fuel sample. Complementary microstructural analysis techniques such as optical and scanning electron microscopy (OM/SEM), electron probe microanalysis for chemical compositions, and TEM-based selective area electron diffraction (SAED) analysis for crystallographic insights into each phase were also utilized. This comprehensive approach allowed us to correlate local thermal diffusivity data with microstructural characteristics, enabling the computation of local thermal conductivity at each position. The significance of this contribution lies in its pioneering use of the TCM for ternary fuel mesoscale examination, shedding light on the previously overlooked effects of Pu redistribution on local thermal conductivity. By informing current models capturing constituent redistribution and heat transfer, our findings pave the way for more accurate predictions of metallic fuel performance. Moreover, this work sets the stage for future comparisons with similar TCM examinations on U-19Pu-10Zr fuels at ultra-low burnup, facilitating a comprehensive understanding of thermal property changes across different burnup levels. Ultimately, our study not only enriches our understanding of the thermophysical properties of individual redistribution regions within U-Pu-Zr fuel but also offers valuable insights for the design and operational parameters of proposed next-generation fast reactors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1994

High Performance Programming Using Explicit Shared Memory Model on the Cray T3D

The Cray T3D is the first-phase system in Cray Research Inc.'s (CRI) three-phase massively parallel processing program. In this report we describe the architecture of the T3D, as well as the CRAFT (Cray Research Adaptive Fortran) programming model, and contrast it with PVM, which is also supported on the T3D We present some performance data based on the NAS Parallel Benchmarks to illustrate both architectural and software features of the T3D.

Saini, Subhash↗

DOE OSTI2023

Thermodynamic modeling of the Nb-Ni system with uncertainty quantification using PyCalphad and ESPEI

Here, the Nb–Ni system is remodeled with uncertainty quantification (UQ) using software tools of PyCalphad and ESPEI (the Extensible, Self-optimizing Phase Equilibria Infrastructure) with the presently implemented capability of modeling site fraction based on Wyckoff positions. The five- and three-sublattice models are used to model the topologically close pack (TCP) μ-Nb 7 Ni 6 and δ-NbNi 3 phases according to their Wyckoff positions. The inputs for CALPHAD-based thermodynamic modeling include the thermochemical data as a function of temperature predicted by first-principles and phonon calculations based on density functional theory (DFT), ab initio molecular dynamics (AIMD) simulations, together with phase equilibrium and site fraction data in the literature. In addition to phase diagram and thermodynamic properties, the CALPHAD-based predictions of site fractions of Nb in μ-Nb 7 Ni 6 agree well with experimental data. Furthermore, the UQ estimation using the Markov Chain Monte Carlo (MCMC) method as implemented in ESPEI is applied to study the uncertainty of site fraction in μ-Nb 7 Ni 6 and enthalpy of mixing (ΔH mix ) in liquid.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Robust late twenty-first century shift in the regional monsoons in RegCM-CORDEX simulations

Abstract We use an unprecedented ensemble of regional climate model (RCM) projections over seven regional CORDEX domains to provide, for the first time, an RCM-based global view of monsoon changes at various levels of increased greenhouse gas (GHG) forcing. All regional simulations are conducted using RegCM4 at a 25 km horizontal grid spacing using lateral and lower boundary forcing from three General Circulation Models (GCMs), which are part of the fifth phase of the Coupled Model Inter-comparison Project (CMIP5). Each simulation covers the period from 1970 through 2100 under two Representative Concentration Pathways (RCP2.6 and RCP8.5). Regional climate simulations exhibit high fidelity in capturing key characteristics of precipitation and atmospheric dynamics across monsoon regions in the historical period. In the future period, regional monsoons exhibit a spatially robust delay in the monsoon onset, an increase in seasonality, and a reduction in the rainy season length at higher levels of radiative forcing. All regions with substantial delays in the monsoon onset exhibit a decrease in pre-monsoon precipitation, indicating a strong connection between pre-monsoon drying and a shift in the monsoon onset. The weakening of latent heat driven atmospheric warming during the pre-monsoon period delays the overturning of atmospheric subsidence in the monsoon regions, which defers their transitioning into deep convective states. Monsoon changes under the RCP2.6 scenario are mostly within the baseline variability.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Clinically applicable 53-Gene prognostic assay predicts chemotherapy benefit in gastric cancer: A multicenter study

BACKGROUND:We previously established a 53-gene prognostic signature for overall survival (OS) of gastric cancer patients. This retrospective multi-center study aimed to develop a clinically applicable gene expression detection assay and to investigate the prognostic value of this signature. METHODS:A TCGA gastric adenocarcinoma cohort (TCGA-STAD) was used for comparing 53-gene signature with other gene signatures. A high-throughput mRNA hybridization gene expression assay was developed to quantify the expression of 53-genes in formalin-fixed paraffin-embedded tissues of 540 patients enrolled from three hospitals. 180 patents were randomly selected from two hospitals to build a prognostic prediction model based on the 53-gene signature using leave-p-out (one-third out) cross-validation method together with Cox regression and Kaplan-Meier analysis, and the model was assessed on three validation cohorts. FINDINGS:In the evaluation phase, studies based on TCGA-STAD showed that the 53-gene signature was significantly superior to other three prognostic signatures and was independent of TCGA molecular subtypes and clinical factors. For clinical validation and utility, the prognostic scores were generated using the newly developed assay, which was reliable and sensitive, in 100 sampling training sets and were significantly associated with OS in 100 sampling validation sets. The scores were significantly associated with OS in three independent and combined validation cohorts, and in patients with stages II and III/IV. The multivariate Cox regression demonstrated that the prognostic power of the score was independent of clinical factors, consistent with those findings in the TCGA dataset. Finally, patients with good prognostic scores exhibited significantly a better 5-year OS rate from adjuvant FOLFOX chemotherapy after surgery than from other chemotherapies. INTERPRETATION:The 53-gene prognostic score system is clinically applicable for predicting the OS of patients independent of clinical factors in gastric cancers, which could also be a promising predictive biomarker for FOLFOX regimen. FUNDING:Chinese National Science and Technology, National Natural Science Foundation and Natural Science Foundation of Jiangsu Province.

60 APPLIED LIFE SCIENCES↗