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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Multiscale Characterization of the Caney Shale — An Emerging Play in Oklahoma

From a hydrocarbon perspective, the Caney Shale has historically been evaluated as a sealing unit, which resulted in limited studies characterizing the rock properties of the Caney Shale and its suitability for hydraulic fracturing. The objective of our research is to help bridge the current knowledge gap through the integration of multiscale laboratory techniques and to characterize the macro- and microscale rock properties of the Caney Shale. We employed an integrated approach for the characterization of the Caney using 200 ft (61 m) of Caney core from a target well in southern Oklahoma. Core observation and petrographic analysis of thin sections were combined to characterize the general rock types and associated fabrics and textures. Mineralogical composition, pore system architecture, and rock fabric were analyzed using x-ray diffraction (XRD), scanning electron microscopy/energy dispersive x-ray spectroscopy (SEM/EDS), and focused ion beam (FIB)-SEM. In addition, rebound hardness and indentation testing were carried out to determine rock hardness (brittleness) and elasticity, respectively. With the integrated multiscale characterization, three mixed carbonate-siliciclastic rock types were identified — mudstone, calcareous siltstone, and silty carbonate — likely representing a spectrum of deposition from low to relatively high energy environments in the distal portions of a ramp system. Silty carbonate contains mostly interparticle pores. The calcareous siltstones and silty mudstones contain a combination of organic matter pores and interparticle pores. Each of the rock types shows unique mineralogical compositions based on XRD. The mudstone lithofacies has the highest clay content and the least carbonate content. Calcareous siltstones show moderate carbonate and clay content. Silty carbonate indicates the highest carbonate content with the least clay content. In an order of mudstone, calcareous siltstone, and silty carbonate, rebound hardness and Young’s modulus show an increasing trend. As a result of rock-fluid interactions, there are potential scaling reactions during completion and production that could ultimately affect permeability and production rates. Overall, the proposed multiscale integration approach is critical for the geologic characterization of most rocks. However, in shale reservoirs dominated by microporosity and microstructure where engineered fractures are expected to provide permeability at a reservoir scale, successful integration is essential. An optimized, integrated geological characterization of the Caney Shale that is well aligned with the engineering designs in drilling, completing, and producing wellbores will ultimately lead to optimal production while providing safe and environmentally responsible operations.

Wang, Yulun↗
DOE OSTI2022

Kohn anomaly and elastic softening in body-centered cubic molybdenum at high pressure

Transition metals in body-centered cubic (bcc) structures under compression can display several novel physical properties because of their complex electronic structures and electron-phonon interactions. Here, we used inelastic x-ray scattering experiments in a diamond-anvil cell up to ∼45 GPa and density-functional theory calculations up to 210 GPa to investigate the phonon dispersions, and electronic and elastic properties of single-crystal molybdenum (Mo). Our results show a pressure-induced Kohn anomaly at 𝑞∼0.5 along the [ξ00] direction in the longitudinal acoustic mode at ∼45 GPa; this anomaly is triggered by the pressure-enhanced Fermi-surface nesting effect. Theoretical calculations show that electron redistributions in the 𝑠-to-𝑑 orbitals of bcc-Mo contribute to the shear modulus anomaly at ∼50 GPa. In contrast, the Young's modulus anomaly in bcc-Mo at ∼210 GPa results from a Lifshitz-type electronic topological transition. In conclusion, our results shed light on the complex electronic behaviors that are associated with macroscopic elastic properties in typical bcc 𝑑-block transition metals under compression.

3-dimensional systems↗
DOE OSTI2024

Multidimensional Rietveld refinement of high-pressure neutron diffraction data of PbNCN

High-pressure neutron powder diffraction data from PbNCN were collected on the high-pressure diffraction beamline SNAP located at the Spallation Neutron Source (SNS) of Oak Ridge National Laboratory (Tennessee, USA). The diffraction data were analyzed using the novel method of multidimensional (two dimensions for now, potentially more in the future) Rietveld refinement and, for comparison, employing the conventional Rietveld method. To achieve two-dimensional analysis, a detailed description of the SNAP instrument characteristics was created, serving as an instrument parameter file, and then yielding both cell and spatial parameters as refined under pressure for the first time for solid-state cyanamides/carbodiimides. The bulk modulus B 0 = 25.1 (15) GPa and its derivative B ′ 0 = 11.1 (8) were extracted for PbNCN following the Vinet equation of state. Surprisingly, an internal transition was observed beyond 2.0 (2) GPa, resulting from switching the bond multiplicities (and bending direction) of the NCN 2− complex anion. The results were corroborated using electronic structure calculation from first principles, highlighting both local structural and chemical bonding details.

Meinerzhagen, Yannick↗
DOE OSTI2020

High performance Nb/TiNi nanocomposites produced by packaged accumulative roll bonding

Taking full advantage of intrinsic high strength of nano-reinforcements has been proven difficult in a composite until the concept of strain matching was experimental verified in a nanowire Nb/TiNi in-situ composite, which was obtained via solidifying eutectic Nb/TiNi and subsequent severe wire drawing. However, the volume fraction of the nano-reinforcement was dictated by eutectic reaction, which severely limited the development of high-performance composites. Here, the martensitic transformation nanocomposites were successfully acquired with increased volume fraction and changeable morphology of the nano-reinforcement through hot packaged ARB (PARB) and subsequent wire drawing. The nano-reinforcement with lamellar configuration in the composite could exhibit a large lattice strain of similar to 3.8%, which demonstrated the applicability and effectiveness of the strain matching principle in nano-lamellar composite. The obtained composites show a yield strength over 2.0 GPa and a quasi-linear elastic strain as larger as similar to 6.5% with adjustable apparent elastic modulus from 30 to 50 GPa.

42 ENGINEERING↗
DOE OSTI2024

High-density stable glasses formed on soft substrates

Enabled by surface-mediated equilibration, physical vapour deposition can create high-density stable glasses comparable with liquid-quenched glasses aged for millions of years. Deposition is often performed at various rates and temperatures on rigid substrates to control the glass properties. Here, in this work, we demonstrate that on soft, rubbery substrates, surface-mediated equilibration is enhanced up to 170 nm away from the interface, forming stable glasses with densities up to 2.5% higher than liquid-quenched glasses within 2.5 h of deposition. Gaining similar properties on rigid substrates would require 10 million times slower deposition, taking ~3,000 years. Controlling the modulus of the rubbery substrate provides control over the glass structure and density at constant deposition conditions. These results underscore the significance of substrate elasticity in manipulating the properties of the mobile surface layer and thus the glass structure and properties, allowing access to deeper states of the energy landscape without prohibitively slow deposition rates.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High‐Pressure Synthesis of Ultra‐Incompressible, Hard and Superconducting Tungsten Nitrides

Abstract Transition metal nitrides, particularly those of 5 d metals, are known for their outstanding properties, often relevant for industrial applications. Among these metal elements, tungsten is especially attractive given its low cost. In this high‐pressure investigation of the W–N system, two novel ultra‐incompressible tungsten nitride superconductors, namely W 2 N 3 and W 3 N 5 , are successfully synthesized at 35 and 56 GPa, respectively, through a direct reaction between N 2 and W in laser‐heated diamond anvil cells. Their crystal structure is determined using synchrotron single‐crystal X‐ray diffraction. While the W 2 N 3 solid's sole constituting nitrogen species are N 3‐ units, W 3 N 5 features both discrete N 3‐ as well as N 2 4‐ pernitride anions. The bulk modulus of W 2 N 3 and W 3 N 5 is experimentally determined to be 380(3) and 406(7) GPa, and their ultra‐incompressible behavior is rationalized by their constituting WN 7 polyhedra and their linkages. Importantly, both W 2 N 3 and W 3 N 5 are recoverable to ambient conditions and stable in air. Density functional theory calculations reveal W 2 N 3 and W 3 N 5 to have a Vickers hardness of 30 and 34 GPa, and superconducting transition temperatures at ambient pressure (50 GPa) of 11.6 K (9.8 K) and 9.4 K (7.2 K), respectively. Additionally, transport measurements performed at 50 GPa on W 2 N 3 corroborate with the calculations.

Chemistry↗
DOE OSTI2026

Harnessing biomass-derived reinforcements for sustainable flame-resistant composite

Bio-based composites containing natural fiber reinforcements have been integral to developing innovative, low-cost, and low-energy technologies for transportation applications in marine, automotive, and other industries. The low density of natural fibers gives these materials a high specific stiffness and strength, which can lead to significant weight savings in composites. This study focused on a specialty type of wood fiber treated with boric acid (≤ 7%) sourced from Northern White Pine in the USA, marketed as TimberFill. TimberFill is a high aspect ratio, fibrillated wood fiber that is produced commercially for wood fiber insulation; it is chemically treated to improve both its flame retardance and water resistance. In the present study, TimberFill was processed into non-woven mats using a process akin to papermaking and then infiltrated with epoxy resin. Biochar from wood waste was also incorporated into the epoxy resin as a low-cost filler and functional additive. The effects of biochar concentration on composites’ flame retardance (17% improvement in burn rate), thermal conductivity (improved by 9%), and mechanical performance (33% improvement in modulus) are herein presented. Additionally, it explores the plasticizing effect of the boric acid used in the treatment of TimberFill on the thermal and mechanical properties of the resulting composites, specifically on the thermal expansion coefficient.

Joshy, Joslin [ORNL]↗
DOE OSTI2024

Conservation of model degraded pine wood with selected organosilicons studied by XFM and nanoindentation

Previous research found that some organosilicon treatments proved effective in stabilizing waterlogged wood dimensions during drying. The present research aimed to determine the mechanism of wood stabilization by these chemicals to understand their mode of action. Here, the study used chemically (ChP) and biologically degraded (BP) model Scots pine wood treated with Methyltrimethoxysilane (MTMS), (3-Mercaptopropyl) trimethoxysilane (MPTMS), or 1,3-Bis(diethylamino)-3-propoxypropanol)-1,1,3,3-tetramethyldisiloxane (DEAPTMDS). Synchrotron-based X-ray fluorescence microscopy (XFM) was used to investigate the penetration of organosilicons into the wood cellular structure and cell walls, and nanoindentation was used to study the mechanical properties of the treated wood cell walls. All treatments resulted in high volumetric anti-shrink efficiency (ASE V ) values of 74-82%, except for MTMS-treated ChP with an ASE V of 52%. The multiscale XFM results revealed that all applied organosilicons penetrated throughout the whole wooden blocks and deposited in both cell lumina and cell walls. The retention of all applied organosilicons was highest in BP wood, and so was the dimensional stabilization effect. MTMS-treated ChP had the lowest measured cell wall infiltration, which likely contributed to its lower ASE v . DEAPTMDS treatments plasticized the cell walls and resulted in lowered nanoindentation elastic modulus (E s NI ) and hardness (H) for all types of wood. MTMS and MPTMS had modest effects on cell wall mechanical properties, and the effect depended on the type of wood. The final effect of organosilicon treatment on the dimensional wood stabilization and mechanical properties of wood cell walls depended not only on the type of the applied organosilicon but also the type of wood degradation. This means that the treatment cannot be considered universal, and specific approaches are needed for the conservation of individual wooden objects. Although some mechanisms are now better understood, such as the need for organosilicons to infiltrate the cell walls and the plasticizing effect of DEAPTMDS, other aspects will benefit from a more detailed analysis of the molecular interactions between organosilicons and wood polymers.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Vascular Carbon/Carbon composites for concentrated solar power

Due to their exceptional mechanical and thermal properties under high temperature conditions, for the first time, a novel vascular (embedded channels) Carbon/Carbon (C/C) composite was developed for use as a modular concentrated solar power (CSP) gas receiver. The fabrication process involves the combination of the vaporization of sacrificial component (VaSC) technique with conventional methods to produce C/C composites with well preserved channels. Different heat treatments were evaluated together with X-ray diffraction (XRD) analysis to determine optimal fabrication conditions that maintains the material and channel’s integrity. Mechanical testing confirms that structural integrity is maintained, with statistical analyses indicating no compromise in flexural strength or modulus. Furthermore, this research introduces an innovative pathway for efficient CSP gas receivers, which can bridge the gap towards improved energy generation efficiency in next-gen CSP plants through higher operating temperatures with the use of C/C composites.

14 SOLAR ENERGY↗
DOE OSTI2023

Hydrodynamics of a multicomponent vesicle under strong confinement

Herein we numerically investigate the hydrodynamics and membrane dynamics of a multicomponent vesicle in two strongly confined geometries. This serves as a simplified model for red blood cells undergoing large deformations while traversing narrow constrictions. We propose a new parameterization for the bending modulus that remains positive for all lipid phase parameter values. For a multicomponent vesicle passing through a stenosis, we establish connections between various properties: lipid phase coarsening, size and flow profile of the lubrication layers, excess pressure, and the tank-treading velocity of the membrane. For a multicomponent vesicle passing through a contracting channel, we find that the lipid always phase separates so that the vesicle is stiffer in the front as it passes through the constriction. For both cases of confinement we find that lipid coarsening is arrested under strong confinement, and resumes at a high rate upon relief from extreme confinement. The results may be useful for efficient sorting lipid domains using microfluidic flows by controlled release of vesicles passing through strong confinement.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Helmholtz vibrations in bowed strings

We report for almost 160 years, it has been known that Helmholtz oscillations, unique to vibrating strings in bowed instruments (violin, cello, etc.), have two distinct regimes: “slip” and “stick.” During the slip regime, the force at the bow-string interaction is attributed to friction between the sliding bow hair and the vibrating string, with a friction coefficient that decreases with increasing relative velocity. Yet the hair-string interaction during the stick regime is less understood. We propose that the interaction force during the stick regime is proportional to the product of the longitudinal acoustic impedance of the bow hair to the relative bow-string velocity. We validate this hypothesis by solving the string's differential equation of motion, including an enhanced formulation to avoid parasitic high-frequency oscillations. This physical model enables us to analyze, in real time, the characteristics of the Helmholtz oscillations, including the string shape, excitation of harmonics, Schelleng ripples, and string energy, showing that the bowed string gains energy during the stick regime and loses energy during the slip regime.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Influence of geochemical reactions on the creep behavior of Mt. Simon sandstone

The capture and subsurface storage of carbon dioxide is a sustainable option that is currently pursued worldwide to mitigate greenhouse gas effect. However, predicting the long-term mechanical integrity of CO 2 underground storage systems remains a challenge. To address that question, it is essential to understand the influence of fluid-rock chemo-mechanical interactions on the long-term and on the time-dependent mechanical properties. In turn, the long-term mechanical response and the time-dependent mechanical behavior can be represented by the creep response. We investigate the impact of CO 2 -induced geochemical reaction on the creep response of Mt. Simon sandstone with a 50–400 micron grain size. We perform static and dynamic flow experiments on Mt. Simon sandstone specimens under geological conditions, at a temperature of T = 50 - 53 °C and for CO 2 pressures of P = 8:62; 17:2 MPa under both static flow and dynamic flow-through conditions. After aging, we employ creep indentation testing, high-resolution SEM-EDS, computer vision, machine learning, and micromechanics modeling to probe changes on the microstructure and mechanical properties. Following both static and dynamic flow-through experiments, we observe a 10–22% decrease in quartz volume fraction and an increase in both the microporosity (7–28%) and nanoporosity (60–65%). Additional CO 2 -induced microstructural changes include an enlargement of pore throats and the formation of channels. These observations point to the presence of CO 2 -induced K-feldspar dissolution and clay dissolution reactions. Here, the macroscopic creep behavior is logarithmic and the macroscopic creep modulus varies depending on the microporosity and the relative quartz and feldspar content. As a result of these geochemical reactions and of the related microstructural changes, a 55-60% decrease in the macroscopic logarithmic creep modulus is predicted.

58 GEOSCIENCES↗
DOE OSTI2020

Elevated temperature mechanical properties of Inconel 617 surface oxide using nanoindentation

Inconel 617 is a principal candidate material for helium gas cooled very-high-temperature reactors with outlet temperatures of 700–950 °C. Recent findings showed that this alloy develops unique surface oxide layers especially at high temperature (HT) helium environment with distinctive wear, friction and contact properties. This study investigates the elevated temperature mechanical properties of Inconel 617 top surface layers aged in HT helium environment. Nanoindentation technique is used to obtain load-displacement graphs of the alloy top surface oxide in temperatures ranging from 25 °C up to 600 °C. In addition, using finite element analysis along with an iterative regression technique, a semi-numerical method is developed to further measure and quantify the material parameters and, in particular, time-independent and creep characteristics of the oxide. Although Young's modulus of the oxide is found to be relatively close to the bulk for the tested temperatures, the yield strength and hardness, in comparison to the bulk material, increase significantly as the material is oxidized after aging. The oxide exhibits significant softening as the temperature increases to 600 °C. Unlike the bulk material, diffusion through the grains is found to be the dominant creep mechanism for the oxide. Considerable difference between the mechanical properties of the oxide and the bulk material shows the need for accurate measurements of near surface mechanical properties, if reliable predictive contact and tribological models are sought at elevated temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The Sejong Open Cluster Survey (SOS). VII. A Photometric Study of the Young Open Cluster IC 1590

Young open clusters are ideal laboratories to understand the star formation process. We present deep UBVI and Hα photometry for the young open cluster IC 1590 in the center of the H ii region NGC 281. Early-type members are selected from UBV photometric diagrams, and low-mass pre-main-sequence (PMS) members are identified by using Hα photometry. In addition, the published X-ray source list and Gaia astrometric data are also used to isolate probable members. A total of 408 stars are selected as members. The mean reddening obtained from early-type members is ⟨E(B – V)⟩ = 0.40 ± 0.06 (s.d.). We confirm the abnormal extinction law for the intracluster medium. The distance modulus to the cluster determined from the zero-age main-sequence fitting method is 12.3 ± 0.2 mag (d = 2.88 ± 0.28 kpc), which is consistent with the distance d=2.70{sub -0.20}{sup +0.24} kpc from the recent Gaia parallaxes. We also estimate the ages and masses of individual members by means of stellar evolutionary models. The mode of the age of PMS stars is about 0.8 Myr. The initial mass function of IC 1590 is derived. It appears to be a steeper shape (Γ = -1.49 ± 0.14) than that of the Salpeter/Kroupa initial mass function for the high-mass regime (m > 1 M {sub ⊙}). The signature of mass segregation is detected from the difference in the slopes of the initial mass functions for the inner ([[Formula]]) and outer regions of this cluster. We finally discuss the star formation history in NGC 281.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Preferred orientation of calcium aluminosilicate hydrate compacts: Implications for creep and indentation

Nano/micro-indentation has been extensively used to examine elastic properties and creep of cement-based materials. However, there have been inconsistencies in the measured elastic moduli and debate on the creep mechanism of calcium (alumino) silicate hydrates (C-(A-)S-H). To bring new insights, we examined the deviatoric stress-induced preferred orientation of calcium aluminosilicate hydrate (C-A-S-H), portlandite, and ettringite compacts, using synchrotron-based X-ray diffraction. Intense preferred orientations were observed in C-A-S-H compacts, and the c-axis of unit cells is highly aligned with the compression direction; weaker c-axis related fiber-type texture formed in portlandite and ettringite. Higher humidity, greater compacting pressure, and/or increased duration of the pressure intensified the C-A-S-H preferred orientation, which is facilitated by gel-pore water lubrication. This pressure-induced time-dependent preferential re-orientation of crystallites can contribute to the creep of cement-based materials, and it may cause overrepresentation of the soft c-axis of C-(A-)S-H unit-cell in nanoindentation experiments and underestimation of Young's modulus.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Microscale mechanical property variations of Al-substituted LLZO: insights from compression testing and molecular dynamics simulations

Ceramic solid electrolytes based on LLZO (Li 7 La 3 Zr 2 O 12 ) are promising candidates for all-solid-state batteries due to their high ionic conductivity and good apparent stability vs. lithium metal, however they are prone to mechanical failure. Lithium metal intrusions, alongside cell stack pressure, transition polycrystalline solid electrolyte grains into a compressed state that promotes crack propagation and fracture. Here this work examines the mechanical response of Al-substituted LLZO to compressive forces by measuring ultimate strength under pillar compression with a flat punch tip. Failure modes characterized by in situ scanning electron microscopy show diverse splitting patterns arising from internal porosity, grain boundaries, and slip planes. Large correlated variations in compressive strength (0.93–2.63 GPa) and Young's modulus (72.1–150.97 GPa) are observed across microscale regions of the solid electrolyte. Molecular dynamics simulations of LLZO with different porosities describe the variation of compressive strength and Young's modulus, and enable a microscale porosity model to be fit accounting for Young's modulus reduction across the solid electrolyte. Overall, the results indicate the importance of microscale mechanical testing of ceramic solid electrolytes to identify preferential sites for mechanical degradation and Li intrusion, and ensure the robust design of all-solid-state lithium metal batteries.

25 ENERGY STORAGE↗
DOE OSTI2021

Microstructural and infiltration properties of woven preforms during chemical vapor infiltration

Interface-resolved direct numerical simulations (DNSs) of chemical vapor infiltration (CVI) have been performed over a range of furnace-operating conditions (Thiele moduli) and for practical woven preform geometries. A level-set method is used to resolve the geometry of the initial preform at tow scale. The interface between the vapor and solid phase is then evolved in time through the entire CVI densification cycle, fully resolving the time-varying topology between the two phases. In contrast to previous level-set methods for CVI simulation, the physical reaction and diffusion processes govern the level-set movement in the current approach. The surface deposition kinetics is described by the usual one-step model. In this paper, the DNS data are used to study the evolving porosity, surface-to-volume ratio, and flow infiltration properties (permeability and effective diffusivities). Additionally, comparisons are made to popularly-assumed structure functions and the standard, Kozeny–Carmen porous media model commonly employed in modeled CFD simulations of CVI. The virtual DNS experiments reveal a Thiele modulus and preform geometry (fabric layup) dependence which the existing microstructural and infiltration models are not able to describe throughout the entire densification process. The DNS-based, woven geometry-specific correlations can be applied directly to mean-field, furnace-scale CFD simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Evaluating Fracture Behavior of Bioinspired Alumina-YSZ Composites through Static and Dynamic Mechanical Testing

Ceramic materials are known for their high hardness and strength but are limited by low toughness and sudden failure. Inspired by the microstructure of dental enamel, which features undulating rods that promote crack deflection and energy absorption, architected specimens were designed and manufactured. A bespoke ball-on-ring (BoR) testing apparatus measured the static biaxial rupture strength of these bioinspired materials. Additionally, impact testing with spherical steel projectiles assessed their behavior under dynamic conditions. Monolithic alumina specimens were compared to architected alumina reinforced with yttria-stabilized zirconia (YSZ) rods produced via direct ink write 3D printing. BoR tests revealed that monolithic alumina had a Weibull modulus of 10.53 and a characteristic strength of 372.3 MPa, while the composite specimens showed a Weibull modulus of 5.46 and a characteristic strength of 213.3 MPa. Although the composite failed at lower stresses and projectile velocities, it exhibited notable crack deflection and fracture resistance, with cracks being effectively interrupted by the rod inclusions. The composite specimens also resulted in fewer and larger fragments upon impact. Finite element simulations confirmed the effectiveness of the rod structures in enhancing fracture resistance.

Bioinspired materials↗