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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 OSTI2020

Cooling dynamics of two titanium alloys during laser powder bed fusion probed with in situ X-ray imaging and diffraction

Metal parts produced by laser powder bed fusion (LPBF) additive manufacturing exhibit characteristic microstructures comparable to those observed in laser welding. The primary cause of this characteristic microstructure is rapid, localized heating and cooling cycles, which result in extreme thermal gradients where material solidification is followed by fast cooling in the solid state. The final microstructure and mechanical performance are also influenced by pore formation caused by melt pool fluid dynamics. Here, we use high speed, in situ X-ray diffraction to probe the kinetics of cooling and solid-solid phase transitions after laser melting in two aerospace titanium alloys: Ti-6Al-4V, an α + β alloy; and Ti-5Al-5V-5Mo-3Cr, a near-β alloy. We complement these diffraction studies with in situ X-ray imaging to probe melt pool dynamics and pore formation. From these two complementary probes, we quantify pore formation during melting and the subsequent microstructural evolution as the material rapidly cools after solidification. These results are critical for understanding defect formation and residual stress development in different titanium alloys under LPBF conditions and can help inform process models to predict final part performance.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Hydrate-filled Fracture Formation at Keathley Canyon 151, Gulf of Mexico, and Implications for Non-vent Sites

Near-vertical hydrate-filled fractures are found in subseafloor marine muds, at both advective methane vent sites and at sites without obvious methane and fluid advection (non-vent sites). At non-vent sites, the mechanisms that transport methane to the fractures and control how hydrate-filled fractures form are not well understood. However, these mechanisms are important to establish, as most of Earth's natural gas hydrate is likely bound in marine mud systems. In this work, we focus on understanding the origin of hydrate and how fracture form at non-vent sites by examining previously hydrate-bearing fractures in conventional cores taken from Keathley Canyon 151, U.S. northern Gulf of Mexico, drilled by the Gas Hydrate Joint Industry Project in 2005. We combine information from well logs, sediment cores, and science party results and add new X-ray computed tomography of archival sections and scanning electron microcopy of core samples to develop a conceptual model. We propose that locally generated microbial methane is transported via diffusion from small pores in marine mud into biomineralized burrows with larger pore size in a process called short-range migration. Hydrate forms in burrows once the methane diffuses into them and the dissolved methane concentration exceeds the solubility threshold. When hydrate fills a burrow, heave from additional hydrate growth places stress on the burrow edges, expands the fracture, and creates additional void space in which methane can diffuse and continue forming hydrate. Fractures slowly propagate in the direction of maximum principal stress.

58 GEOSCIENCES↗
DOE OSTI2022

Shallow Aseismic Slip in the Delaware Basin Determined by Sentinel-1 InSAR

The Delaware Basin, Texas is currently a hot-spot of induced seismicity and ground deformation due to fluid extraction and injection associated with horizontal drilling techniques; however, the driving mechanism behind the seismicity and deformation remains under debate. Here, using vertical and east-west horizontal surface deformation measurements derived from Sentinel-1 interferometric synthetic aperture radar (InSAR), we show that the subsurface responds differently to oil and gas activity in the northern and southeastern portions of the basin. In the north, where there is little seismicity, deformation patterns display long-wavelengths and equidimensional patterns. In contrast, the southeast region hosts most of the seismicity and displays spatial deformation patterns with narrow linear features that strike parallel to the maximum principal horizontal stress and to trends in seismicity, suggesting movement along normal faults. We model a linear deformation feature using edge dislocations and show that the InSAR observations can be reproduced by slip on normal faults contained within the Delaware Mountain Group (DMG), the formation that hosts local wastewater injection and the majority of earthquakes. Our model consists of three parallel, high-angle normal faults, with two dipping toward one another in a graben structure. Slip magnitudes reach up to 25 cm and are spatially correlated with injection wells. Measured seismicity can only explain ~2% of the fault motion predicted by our fault model, suggesting that slip leading to the deformation is predominantly aseismic. We conclude that seismic and aseismic fault motion in the southeastern Delaware Basin is likely driven by wastewater injection near critically-stressed normal faults within the DMG.

58 GEOSCIENCES↗
DOE OSTI2022

Flow Channels and the Generation of Alfvénic Turbulence Along Storm‐Time Inner Magnetospheric Field‐Lines

Abstract A feature of Earth's storm‐time magnetosphere outside the plasmapause is the occurrence of broad‐spectrum Alfvénic fluctuations. In this letter observations from the Van Allen Probes are compared with 3‐D fluid‐kinetic simulations of an evolving convective flow channel to investigate the mechanisms generating the observed spectrum. It is shown how narrow channels of fast convection are unstable to the Kelvin‐Helmholtz instability which on closed field‐lines initiates a cascade to small scales. Sustained driving of the flow combined with reflection from the topside ionosphere leads to the generation of an intensified spectrum of electromagnetic structures having similar spectral and morphological characteristics to those observed. This process couples enhanced magnetospheric convection to kinetic scale electromagnetic fluctuations that drive particle transport, scattering and energization through the outer radiation belt and ring current during geomagnetic storms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Magnetoelastic effects in the hyperhoneycomb Kitaev spin liquid

In recent years, several magnetic Mott insulators with strong spin-orbit coupling were suggested to be proximate to the Kitaev quantum spin liquid, whose one of the most exciting features is the fractionalization of spin excitations into itinerant Majorana fermions and static Z 2 fluxes. Unfortunately, the ground states of these systems cannot be easily captured by experiment, remaining featureless to conventional local probes. Here, we propose to study the signatures of fractionalized excitations by exploiting their coupling to the lattice vibrations, dubbed magnetoelastic coupling, which arises from the fact that the interaction between spins depends on the relative distance between them. We argue that the magnetoelastic coupling can lead to the distinct modification of the phonon dynamics, which can be observed by measuring renormalized phonon spectrum, the sound attenuation, and the phonon Hall viscosity. This makes the phonon dynamics a promising tool for the characterization and identification of quantum spin liquid phases. In this work, we focus on the magnetoelastic effects in the three-dimensional Kitaev model realized on the hyperhoneycomb lattice. Here, the hyperhoneycomb Kitaev spin liquid is particularly interesting since the strong Kitaev interaction was observed in the Kitaev magnet β-Li 2 IrO 3 , for which the spin-orbit entangled J eff = 1/2 moments of iridium ions form precisely the hyperhoneycomb lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

High-speed impact of micron-sized diesel drop trains—Splashing dynamics, secondary droplet formation, and effects of pre-existing film thickness

This work investigates surface impingement of monodispersed diesel drop trains using computational simulations. The three-dimensional simulations include high-speed impact of micrometer-sized fuel drops onto initially dry and wetted stainless steel substrates. The drop size and impact velocity are representative of fuel injection conditions in internal combustion engines (ICEs). The drop trains serve as a simplified representation of fuel spray. To accurately capture the film that naturally develops on initially dry substrates, a dynamic diesel-stainless steel contact angle model was developed using experiments of single drop impact under ICE representative temperature. Simulations are presented for a highly splashing case and the effects of a pre-existing film on splashing dynamics were investigated, including the temporal evolution of splashed mass and film thickness. It was concluded that for thin films, the effect of pre-existing film thickness is less significant than in single drop impingement. Secondary droplet characterization was performed on simulation results, leading to instantaneous and time-averaged distributions of secondary droplet size, velocity magnitude, and trajectory angle. It was found that for each drop impingement, approximately 58% of the splashed mass is from the impinging drop itself, while the remainder of the splashed mass is composed of film liquid. From a high resolution case, details of secondary droplet formation are observed and three distinct phases of secondary droplet formation are identified. The detailed analysis of drop train impingement under engine-relevant conditions serves as a first step toward a robust understanding of fuel impingement and the development of cleaner and more efficient ICEs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

A Fast and Accurate Reduced-Order Model for High-Intensity Transferred Arc Discharges

Arc discharges are widely used in welding, plasma smelting, and other industrial processes, where variations in operating conditions strongly affect arc stability, temperature distribution, and energy transfer. Accurate modeling of these phenomena typically requires computationally expensive high-fidelity simulations. This study presents a hierarchy of three arc discharge models with progressively reduced physical fidelity. The high-fidelity model provides a fully physics-resolved reference, the reduced-order model reproduces the dominant thermal and flow characteristics of the arc with reasonable accuracy, and the Elenbaas-Heller model captures key trends in a simplified, rapid formulation. This hierarchy demonstrates that reduced-order model can effectively balance predictive fidelity and computational efficiency, providing practical tools for arc simulation and parametric studies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Quantum Ornstein-Zernike theory for two-temperature two-component plasmas

Laboratory plasma production almost always preferentially heats either the ions or electrons, leading to a two-temperature state. In this state, density functional theory molecular dynamic simulation is the state of the art for modeling bulk material properties. We construct a statistical mechanics model for the two temperature limit that is theoretically consistent with the molecular dynamics method. We proceed to derive the electron-ion multi-temperature quantum Ornstein-Zernike equations for the first time. This allows the construction of a two-temperature two-component plasma model using the average atom from which we can compute bulk material properties at a fraction of the computation time of the two-temperature density functional theory simulation. The accuracy of the model is benchmarked against ion pair correlation and self-diffusion results from ab initio simulation. Here, we proceed to compute the viscosity and ion thermal conductivity as a function of both ion and electron temperature.

Ab initio molecular dynamics↗
DOE OSTI2020

3D fault architecture controls the dynamism of earthquake swarms

The vibrant evolutionary patterns made by earthquake swarms are incompatible with standard, effectively two-dimensional (2D) models for general fault architecture. Here we leverage advances in earthquake monitoring with a deep-learning algorithm to image a fault zone hosting a 4-year-long swarm in southern California. We infer that fluids are naturally injected into the fault zone from below and diffuse through strike-parallel channels while triggering earthquakes. A permeability barrier initially limits up-dip swarm migration but ultimately is circumvented. This enables fluid migration within a shallower section of the fault with fundamentally different mechanical properties. Our observations provide high-resolution constraints on the processes by which swarms initiate, grow, and arrest. These findings illustrate how swarm evolution is strongly controlled by 3D variations in fault architecture.

58 GEOSCIENCES↗
DOE OSTI2021

Reactive Flows in Porous Media: Challenges in Theoretical and Numerical Methods

We review theoretical and computational research, primarily from the past 10 years, addressing the flow of reactive fluids in porous media. The focus is on systems where chemical reactions at the solid–fluid interface cause dissolution of the surrounding porous matrix, creating nonlinear feedback mechanisms that can often lead to greatly enhanced permeability. Here, we discuss insights into the evolution of geological forms that can be inferred from these feedback mechanisms, as well as some geotechnical applications such as enhanced oil recovery, hydraulic fracturing, and carbon sequestration. Until recently, most practical applications of reactive transport have been based on Darcy-scale modeling, where averaged equations for the flow and reactant transport are solved. We summarize the successes and limitations of volume averaging, which leads to Darcy-scale equations, as an introduction to pore-scale modeling. Pore-scale modeling is computationally intensive but offers new insights as well as tests of averaging theories and pore-network models. We include recent research devoted to validation of pore-scale simulations, particularly the use of visual observations from microfluidic experiments.

wormhole formation↗
DOE OSTI2024

Materials Assessment for FLiBe Fusion Blankets

This evaluation was prepared at the request of DOE-FES and expands on an earlier evaluation prepared by Wilson, Wiffen and Keiser in 2015 (attached as Appendices A and B). Additional useful information for materials in fission molten salt reactor systems that use FLiBe can be found in a prior NRC report [Busby 2019]. The purpose of this report is to review the considerations that will determine the fusion blanket structural materials that will be suitable for use in a FLiBe breeder-coolant fusion power plant (FPP). Identifying a fusion-relevant structural material that is sufficiently compatible with FLiBe is a key issue to be addressed. The constraints and trade-offs made in structural materials selection include the usual power generation requirements such as mechanical properties, fabricability and durability, which assumes reasonable compatibility with the working fluid. For an FPP, additional constraints include neutron economy (breeding ratio), resistance to irradiation damage and low activation (i.e. waste disposal) characteristics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Utah FORGE: Fault Shear Reactivation Experimental Data for Fluid Injection-Rate Controls on Seismic Moment

Included are experimental data recorded from shear experiments that specifically explore the link between fluid-injection rate and seismic moment resulting from shear reactivation of laboratory faults. Raw mechanical data from three experiments are included alongside corresponding MATLAB scripts that import and plot the data, as well as use it to calculate shear and normal stress. Experiments are performed on 2.5-3 inch long granitoid cores from the Utah FORGE EGS demonstration site, containing a single inclined fracture with small-scale roughness added to the fracture surface. The raw data included here were recorded from an aluminum triaxial pressure vessel (TEMCO) configured with three independent servo-controlled pumps, with distilled water used as the working fluid. The pumps control confining pressure, upstream pore pressure, and axial pressure, with each pump connected to a LabView interface to record applied pressures, cumulative injected water volumes, and pump flow rates. The downstream outlet from the fracture is closed to allow pressurization, which is measured by an external pressure transducer. A linear variable differential transformer (LVDT) attached to the axial piston measures axial displacement, from which we calculate shear displacement along the fracture. Additionally, P-wave transducers are used to record acoustic signatures, where acoustic emission events and maximum amplitudes are compared against seismic moment and shear slip velocity. Fluid injection rates range between 0.05 mL/min, 0.25 mL/min, and 0.75 mL/min for each experiment. Along-fault pressure distributions are progressively less uniform as injection rates increase, representing a switch from steady-state to transient conditions. Triggered shear displacement is used as a proxy for seismic moment and is indexed against cumulative injection volume and rate. Each experiment is performed under constant shear stress conditions, and the sample is fully saturated with DI water. Axial and confining stresses are applied to 3 MPa through pressure-stepping in 500 kPa increments. The pore pressure is held constant at 200 kPa prior to initiating the experiment, and initial axial displacement is recorded. The axial stress is then increased to initiate shear mobilization during the loading phase (run-in) until a peak steady state is achieved. The initial shear stress is reduced to approximately 80% of the peak shear stress by decreasing the axial stress, then held constant for the duration of each experiment.

15 GEOTHERMAL ENERGY↗
DOE OSTI2018

Multiphysics Lattice Discrete Particle Modeling (M-LDPM) for the Simulation of Shale Fracture Permeability

A three-dimensional multiphysics lattice discrete particle model (M-LDPM) framework is formulated to investigate the fracture permeability behavior of shale. The framework features a dual lattice system mimicking the mesostructure of the material and simulates coupled mechanical and flow behavior. The mechanical lattice model simulates the granular internal structure of shale, and describes heterogeneous deformation by means of discrete compatibility and equilibrium equations. The network of flow lattice elements constitutes a dual graph of the mechanical lattice system. A discrete formulation of mass balance for the flow elements is presented to model fluid flow along cracks and intact materials. The overall computational framework is implemented with a mixed explicit–implicit integration scheme and a staggered coupling method that makes use of the dual lattice topology enabling the seamless two-way coupling of the mechanical and flow behaviors. The proposed model is used for the computational analysis of shale fracture permeability behavior by simulating triaxial direct shear tests on Marcellus shale specimens under various confining pressures. The simulated mechanical response is calibrated against the experimental data, and the predicted permeability values are also compared with the experimental measurements. Moreover, the paper presents the scaling analysis of both the mechanical response and permeability measurements based on simulations performed on geometrically similar specimens with increasing size. The simulated stress strain curves reflect a significant size effect in the post-peak due to the presence of localized fractures. The scaling analysis of permeability measurements enables prediction of permeability for large specimens by extrapolating the numerical results of small ones.

58 GEOSCIENCES↗
DOE OSTI2021

Development of Time Lapse VSP Integration Workflow: A Case Study at Farnsworth CO2-EOR Project

Abstract This study aims to develop a 4D Vertical Seismic Profile (VSP) integration workflow to improve the prediction of subsurface stress changes. The selected study site is a 5-spot pattern within the ongoing CO2-EOR operations at the Farnsworth Field Unit FWU in Ochiltree County, Texas. The specific pattern has undergone extensive geological and geomechanical characterization through the acquisition of 3D seismic data, geophysical well logs, and core. This workflow constrains a numerical hydromechanical model by applying a penalty function formed between "modeled" versus "observed" time-lapse compressional and shear seismic velocity changes. Analyses of geophysical logs and ultra-sonic measurements on core exhibit measurable sensitivities to changes in both fluid saturation and mean effective stress. These data are used to develop a site-specific rock physics model and stress-velocity relationship, which inform the numerical models used to generate the "modeled" portion of the penalty function. The "observed" portion of the penalty function is provided by a novel elastic full-waveform inversion of the available 3D baseline and three monitor surveys to produce high-quality estimates of time-lapse compressional and shear seismic velocity changes. The modeling workflow accounts sequentially for fluid substitution and stress impacts. Hydrodynamic and geomechanical properties of the 3D coupled numerical model are estimated through geostatistical integration of well log and core data with 3D seismic inversion products. Changes in seismic velocities due to fluid substitution are computed using the Biot-Gassmann workflow and site-specific rock physics. Stress impacts on time-lapse seismic velocity changes are modeled from the effective stress output of the hydromechanical model and are initially based on the velocity versus effective stress relationship extracted from core mechanical testing. Based on the principle of superposition of seismic wavefields, seismic velocity changes attributed to fluid substitution and that due to changes in mean effective stress are treated as linearly additive. The modeled results are upscaled using Backus averaging to reconcile scale discrepancies between the modeled and measured datasets to formulate the penalty function. This manuscript presents the forward modeling process and concludes that for the base case, the seismic velocity changes due to mean effective stress dominates over the seismic velocity changes attributed to fluid substitution because of the extensive range of the pressure perturbations. Successful minimization of this penalty function calibrates the coupled hydrodynamic geomechanical numerical model and affirms the suitability of acoustic time-lapse measurements such as 4D-VSP for geomechanical calibration.

02 PETROLEUM↗
DOE OSTI2021

Computational and Experimental Validation of Fractal-Fin, Dimpled Solar Heat Collector

A 3 foot x 3 foot x 3 foot aluminum solar collector was manufactured using computer numerical control. The interior of the device included six triangular dimpled fins for enhanced heat transfer. The interior vertical wall on the south side was also dimpled. The solar collector working fluid was based on water, and the collector consisted solely of passive heat transfer mechanisms (no moving parts), making it ideal for off-the-grid and rural applications. Two types of heat transfer experiments were conducted. One experiment had external flat heaters attached on the top and the front side, while the other four sides were insulated. Except for the bottom surface, the second experiment had all its exterior surfaces sprayed with black solar paint to collect as much solar heat as possible. Temperature data as a function of time was collected using 14 thermocouples spread strategically throughout the solar collector. In addition, computational fluid dynamics (CFD) simulations were conducted using the dynamic Smagorinsky large eddy simulation turbulence model. The first simulation considered that both the top and front surfaces were exposed to a fixed temperature of 313.7 K (105 °F), while the remaining four surfaces were insulated. For the second simulation, all conditions were the same, except that the temperature for both heated surfaces was raised to 350 K (170.3 °F). The two temperatures are expected to bound the solar collector operational temperature during the late- Spring, Summer, and early-Fall months. The solar collector design, experimental data, CFD output, and a discussion of five manufacturing approaches and costs are documented in this report.

14 SOLAR ENERGY↗
DOE OSTI2019

Effect of Water on Fracture Mechanical Properties of Shales

Abstract Recognition of the potential for subcritical fracture growth of rocks is essential for the evaluation of long‐term stability of fluids trapped in geologic structures. In shales, subcritical fracture growth may control migration of hydrocarbons in source rock and unconventional reservoirs and of sequestered CO 2 across top seals. Using the double torsion method, we investigated the mode‐I fracture mechanical properties of three shales of different composition, namely, Woodford Shale, Mancos Shale, and Marcellus Shale, under water‐saturated conditions, in ambient air, and in dry CO 2 gas conditions to systematically investigate the effect of water on the fracture growth properties of shales. The clay‐rich (illite with minor kaolinite) Woodford and Mancos Shales demonstrate a strong water‐weakening effect despite their low smectite content, with the fracture toughness reduced by up to 54% and the subcritical fracture growth index by up to 77% under water‐saturated conditions compared to tests in ambient air. Carbonate‐rich Marcellus Shale, in contrast, displays negligible water‐weakening effects. The clay‐CO 2 interaction is minor for the three shales. Specimens treated with a hydrophobic surface coating were also tested to limit water‐weakening effects to the fracture tip. Data from these tests reveal rate‐dependent stress intensity factor‐velocity curves for clay‐rich Woodford and Mancos Shales suggesting a competition between mechanical fracture growth and physicochemical water‐rock interactions. Our results suggest that subcritical failure by water‐enhanced subcritical fracture growth could significantly increase brittle failure in clay‐rich shales.

Chen, Xiaofeng↗
DOE OSTI2021

Microscale Mechanical‐Chemical Modeling of Granular Salt: Insights for Creep

Abstract Microscale numerical modeling is potentially an effective approach for understanding salt creep, but it is quite challenging because natural salt grain boundaries can have complex and evolving geometry, and because contacts between these deformable salt mineral grains are dynamic as a result of compaction, chemical reaction, fluid flow, and heat transfer. In this study, we have overcome these challenges and developed a new microscale mechanical‐chemical (MC) model to analyze creep of salt at the microscale, accounting for coupled deformation, dynamic contacts, and chemical reaction in granular systems with realistic geometric representations. The MC model was realized by linking a new microscale mechanical code based on the numerical manifold method (NMM) to a reactive transport code named Crunch. We simulated the processes of reorganization of the salt grains, microfracturing, and pressure solution that contribute to creep at larger scales. Based on this first quantitative microscale model, we found that sharp corners of mineral grains can dominate the contact dynamics, microfracturing, and pressure solution when salt is compacted, thus governing the structural changes and porosity loss of the system. We found that pressure solution, which preferentially dissolves sharp corners and edges, can lead to relatively high porosity loss in the system, thus playing an important role in the creep of salt. Our analysis shows that the dynamic changes of salt granular systems involving grain relocation and pressure solution can occur repeatedly and continuously, thus contributing to longer‐term creep of salt at larger scales.

58 GEOSCIENCES↗