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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Exact solution of burst pressure for thick-walled pipes using the flow theory of plasticity

This paper develops an exact solution of burst pressure for defect-free, thick-walled pipes using the flow theory of plasticity in terms of the average shear stress yield criterion (or Zhu-Leis yield criterion). The pipe steel is assumed to obey the power-law strain hardening rule, and large plastic deformation is described by the finite strain theory. On this basis, internal pressure is obtained as a power series function of the effective strains on the inside and outside surfaces of the thick-walled pipe with use of the second Bernoulli numbers. At burst failure, the Zhu-Leis flow solution of burst pressure is determined as a power series solution, and the burst effective strains, the burst effective stresses, and the burst pressure are functions of the diameter ratio (D o / D i ), strain hardening exponent (n), and ultimate tensile strength (UTS). Similarly, the Tresca and von Mises flow solutions of burst pressure are also determined as a power series solution in terms of the Tresca and von Mises yield criteria. A general closed-from exact solution of burst pressure is then proposed for the three yield criteria, and the results showed that the proposed exact solution matches well with the power series solution for each yield criterion. Moreover, the von Mises flow solution is an upper bound prediction, the Tresca flow solution is a lower bound prediction, and the Zhu-Leis flow solution is an intermediate prediction that agrees well with the finite element analysis results of burst pressure for thick-walled pipes. Furthermore, two datasets of full-scale burst tests are then utilized to evaluate and validate the proposed flow solutions of burst pressure for both thin and thick-walled pipes.

42 ENGINEERING↗
DOE OSTI2023

Exact solutions of burst pressure for thick-walled cylinders in power-law strain hardening steels

Exact solutions of burst pressure for defect-free, thick-walled cylindrical pressure vessels with capped ends are developed using the flow theory of plasticity in terms of the Tresca, von Mises, and Zhu-Leis yield criteria. The material is assumed to obey a power-law strain hardening rule, and the finite strain theory is adopted to describe large plastic deformation. On this basis, internal pressure is obtained as a complex polynomial function of effective strains on the inside and outside surfaces of the pressure vessel with the use of the Bernoulli numbers. At burst failure, the effective strains and stresses on the inside and outside surfaces are first determined, and then three flow solutions of burst pressure are obtained as a power series function of the diameter ratio (D o /D i ), strain hardening exponent (n), and ultimate tensile strength (UTS). The power series solution is confirmed to agree well with the exact flow solution of burst pressure in a closed-form for each yield criterion, and the results show that the von Mises flow solution is an upper bound prediction, the Tresca flow solution is a lower bound prediction, and the Zhu-Leis flow solution is an intermediate prediction of burst pressure. In conclusion, two sets of full-scale burst test data are then utilized to evaluate and validate the proposed flow solutions of burst pressure for both thin-walled pipes and thick-walled cylindrical pressure vessels.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Adaptively remeshed multiphysical modeling of resistance forge welding with experimental validation of residual stress fields and measurement processes

Welding processes used in the production of pressure vessels impart residual stresses in the manufactured component. Computational modeling is critical to predicting these residual stress fields and understanding how they interact with notches and flaws to impact pressure vessel durability. Here, in this work, we present a finite element model for a resistance forge weld and validate it using laboratory measurements. Extensive microstructural changes, near-melt temperatures, and large localized deformations along the weld interface pose significant challenges to Lagrangian finite element modeling. The proposed modeling approach overcomes these roadblocks in order to provide a high-fidelity simulation that can predict the residual stress state in the manufactured pressure vessel; a rich microstructural constitutive model accounts for material recrystallization dynamics, a frictional-to-tied contact model is coordinated with the constitutive model to represent interfacial bonding, and adaptive remeshing is employed to alleviate severe mesh distortion. An interrupted-weld approach is applied to the simulation to facilitate comparison to displacement measures. Several techniques are employed for residual stress measurement in order to validate the finite element model: neutron diffraction, the contour method, and the slitting method. Model-measurement comparisons are supplemented with detailed simulations that reflect the configurations of the residual-stress measurement processes themselves. The model results show general agreement with experimental measurements, and we observe some similarities in the features around the weld region. Factors that contribute to model-measurement differences are identified. Finally, we conclude with some discussion of the model development and residual stress measurement strategies, including how to best leverage the efforts put forth here for other weld problems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effect of die design on microstructure and mechanical joint strength in friction self-piercing riveted AA7055-T76 and AA7055-T76

In the present study, a unique friction self-piercing riveting (F-SPR) was applied to join high-strength, low-ductility aluminum alloy (AA) 7055-T76 and AA7055-T76 to mitigate a cracking issue. Also, the effect of die design on both joint formation and the mechanical joint performance were investigated. A crack-free joint was achieved when joining AA7055-T76 and AA7055-T76 by F-SPR. As the bottom diameter of the die increased, the mechanical interlocking distance initially increased then became almost saturated. At the same time, the solid-state bonding gradually disappeared, and the lap-shear fracture changed from bottom aluminum fracture to rivet pull-out with partial bottom aluminum fracture. The average maximum lap-shear joint strength of 11.57 kN and cross tension of 5.65 kN were achieved from the D2 die design owing to the combined contributions from high mechanical interlocking distance and good solid-state bonding at the joint interface. Ultrafine grain refinement was observed at the region next to the rivet shank outer surface and along the materials flow line between the top and bottom aluminum sheet in the rivet cavity. Further, because of the same joint-process parameters, the hardness profile at the joints made by different dies did not show obvious differences. As the distance from the base metal to the rivet outer surface decreased, frictional heat caused the hardness to initially decrease from 190 to 150 HV in the heat-affected zone. Hardness increased up to 175 HV in the thermomechanical affected zone (TMAZ-I) owing to large plastic deformation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Meshfree simulation and prediction of recrystallized grain size in friction stir processed 316L stainless steel

Friction stir processing (FSP) is a promising solid-phase microstructural modification technique that can repair and enhance damaged stainless steel surfaces exposed to harsh environments. The quality of the repaired material is closely correlated to the recrystallized grain size in the stir zone (SZ), which is influenced by the thermomechanical conditions dictated by FSP process parameters. Thus, establishing a reliable relationship between these parameters and recrystallized grain size in the SZ is crucial for optimizing repair quality. However, existing experimental approaches often rely on indirect temperatures measured far from the SZ, along with rough strain rate estimations, which are imprecise and time-consuming. Meanwhile, existing mesh-based modeling methods usually face numerical challenges when dealing with the large material deformations inherent in FSP. Here, to address these issues, this study introduces a meshfree process model for FSP based on the smoothed particle hydrodynamics (SPH) method, aimed at predicting process conditions under different parameters. The model is validated using experimental data from 11 combinations of tool traverse and rotation speeds on 316 L stainless steel. Correlations between process parameters, material flow, temperature, strain, strain rate, and recrystallized grain size are revealed through SPH simulations and electron backscatter diffraction (EBSD) imaging. The results show that in situ SZ temperatures range from 1071 to 1322°C, which exceed the tool temperature by over 300°C. Furthermore, SZ temperature, strain rate, and grain size increase monotonically with higher tool temperature and faster traverse speed. A relationship is then established between the model-predicted Zener-Hollomon parameter and the recrystallized grain size based on EBSD data, expressed as ln(d) = -0.364 ln(Z) + 14.673. Finally, this relationship exhibits satisfactory accuracy with errors of less than 26.9% in predicting grain sizes at various SZ locations, which offers valuable insights for optimizing FSP repair processes for 316 L stainless steel.

316L stainless steel↗
DOE OSTI2022

Mapping 3D grain and precipitate structure during in situ mechanical testing of open-cell metal foam using micro-computed tomography and high-energy X-ray diffraction microscopy

Open-cell metal foams are ultra-low-density cellular metals with complex hierarchical structures that span bulk, cell, ligament, and sub-ligament scales and give rise to desirable properties such as high strength-to-weight ratio and excellent energy absorption. Although literature suggests that intrinsic material structures at sub-ligament length scales (e.g., grains and precipitates) play an important role in mechanical behavior of open-cell metal foams, there are very few experimental measurements of such structures in three dimensions and for meaningful volumes of foam. This study seeks to map and track the three-dimensional (3D) grain and precipitate structures of an intact volume of open-cell aluminum foam by advancing microstructural characterization techniques that leverage X-ray micro-computed tomography (μCT) and far-field high-energy X-ray diffraction microscopy (FF-HEDM). A 6%-relative-density aluminum foam sample was mechanically tested in compression while μCT and FF-HEDM measurements were collected at interrupted loading states at beamline 1-ID of the Advanced Photon Source. Further, a new scanning strategy and reconstruction algorithm were established to enable characterization of a foam volume with diameter approximately four times wider than the nominal width of the X-ray beam. The result is a set of maps that detail both the 3D grain and precipitate structures throughout the foam volume at successive strain steps. A novel grain tracking procedure was developed to track individual grains within the foam volume by accounting for the large rigid-body motions that individual ligaments can undergo during mechanical loading. The ability to track grains and precipitate structures in three dimensions throughout large bulk deformation of ultra-low-density polycrystalline materials enables new possibilities for validating numerical models and investigating local failure mechanisms. Furthermore, the methods and procedures developed in this study could be applied to other ultra-low-density structures, such as additively manufactured lattices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Strain-Based Assessment of Shale Caprock during Cyclic Underground Hydrogen Storage

Successful large-scale underground hydrogen storage (UHS) in depleted gas reservoirs depends on the integrity of the overlying caprock to prevent hydrogen loss during cyclic injection and depletion. Prior studies on crushed Marcellus shale, a potential caprock, indicate that cyclic hydrogen injection and depletion induces microstructural changes, increasing porosity and permeability. However, the extent of these changes in intact shale remains unclear. This study presents a strain-based experimental approach to quantify volumetric strain evolution in intact Marcellus shale matrix under unconstrained stress conditions. A quadrant-shaped shale sample without visible fractures underwent eight hydrostatic pore-pressure cycles (injection to 1500 psi and depletion to 500 psi in 250 psi steps). Linear strain gauges measured strain in three orthogonal directions. Results indicate progressive plastic strain accumulation, leading to an ∼12% increase in matrix porosity after eight cycles, with an estimated 19% increase after 30 cycles. This porosity increase follows a logarithmic trend, suggesting a diminishing effect in later cycles. Additionally, permeability and diffusive mass flux are projected to rise by ∼70% over 30 cycles, enhancing hydrogen migration risk. The shale matrix also exhibited mechanical stiffening over successive cycles, limiting large-scale deformation but not preventing porosity enhancement. A new parameter, α, was introduced to characterize shale sensitivity to cyclic loading, aiding UHS caprock assessments. These findings underscore the necessity of incorporating cyclic loading effects in UHS site selection and operational strategies to ensure long-term storage integrity.

08 HYDROGEN↗
DOE OSTI2026

Dirac Fermions and Flat Bands in Phosphorus Carbide Nanotubes: Structural and Quantum Phase Transitions in a Quasi-One-Dimensional Material

Chemically realistic quasi-one-dimensional (1D) materials in which Dirac Fermions and highly degenerate flat bands coexist intrinsically at the Fermi level are exceedingly rare, while representing a highly desirable platform for correlated and topological quantum phenomena. Here, in this work, using specialized symmetry-adapted first-principles calculations we predict a new class of nanomaterials─phosphorus carbide nanotubes (P 2 C 3 NTs)─obtained by rolling monolayer P 2 C 3 , a two-dimensional material shown in a previous letter to host “double Kagome bands”. Both armchair and zigzag P 2 C 3 NTs are stable at room temperature and feature the rare coexistence of Dirac crossings and multiple flat bands at the Fermi level inherited from the underlying honeycomb–Kagome lattice, with the flat bands resilient to elastic deformations. Under large strain, the structure transforms from honeycomb–Kagome to “brick-wall”, accompanied by multiple coupled structural and quantum phase transitions. We also uncover localized edge states, spin splitting from vacancies and dopants, and strain-tunable magnetism. Together, these results establish P 2 C 3 NTs as a chemically specific and mechanically tunable 1D material platform with potential applications in quantum hardware and spintronics.

carbon nanotubes↗
DOE OSTI2021

Stress-Dependent Chemo-Mechanical Performance of Amorphous Si Anodes for Li-Ion Batteries upon Lithiation

Alloying-type anodes are significantly governed by their chemo-mechanical performance during the electrochemical cycling. The reaction-induced huge volumetric change of these anodes may cause material degradation and failure under mechanical constraints. Here, we investigate the stress-dependent lithiation behavior of amorphous Si (a-Si) anodes using molecular dynamics simulations. It is indicated that a-Si anodes can sustain higher hydrostatic stress than biaxial/uniaxial ones without the occurrence of mechanical failure. Thermodynamic and electrochemical calculations demonstrate that although the lithiation procedure also affects the thermodynamic stability of a-Si anodes, it is mainly dominated by the external mean stresses. Compressive stress is confirmed to destabilize a-Si anodes and further trigger their capacity fading. Compared with our atomistic simulations, previous continuum models underestimate the open-cell potentials of a-Si anodes, due to their ignored large volumetric deformation at higher stresses and Li concentrations. Finally, this computational study provides the intensive atomic-level understanding of the stress-dependent lithiation behavior of a-Si anodes.

25 ENERGY STORAGE↗
DOE OSTI2025

Giant Electrostriction via Nanodomain Engineering in Relaxor Ferroelectric Polymers

Relaxor ferroelectric (RFE) polymers hold great promise for artificial muscles due to their high actuation strain, high loading stress, and fast response. However, the structural origin underlying their large electrostrictive deformation remains elusive. In this study, we investigate poly(vinylidene fluoride-co-trifluoroethylene) [P(VDF-TrFE)]-based RFE terpolymers, incorporating 1,1-chlorofluoroethylene (CFE) or chlorotrifluoroethylene (CTFE) (the terpolymers are denoted as terP-CFE and terP-CTFE, respectively) as termonomers. Although both terpolymers show similar semicrystalline morphology, drastically different electrostrictive properties are observed. Specifically, the terP-CFE annealed at 100 °C achieves a record-high transverse strain of ∼10.6%, whereas 100 °C-annealed terP-CTFE only shows a much lower actuation strain of ∼4.2% at the same poling field of 190 MV/m. To elucidate the origin of this difference, time-resolved wide-angle X-ray diffraction, small-angle X-ray scattering, and Fourier transform infrared experiments are performed during in situ electric poling. An RFE-to-ferroelectric (FE) crystal phase transition is observed for terP-CFE but is absent for terP-CTFE. Beyond the contribution of the crystalline phase, the oriented amorphous fraction and crystalline defects (e.g., taut-tie molecules) also play significant roles in enhancing electrostriction. In conclusion, this mechanistic insight provides a valuable foundation for the rational design of next-generation RFE polymers with tunable properties through defect engineering of their semicrystalline structures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Selective sorption of oxygen and nitrous oxide by an electron donor-incorporated flexible coordination network

Incorporating strong electron donor functionality into flexible coordination networks is intriguing for sorption applications due to a built-in mechanism for electron-withdrawing guests. Here we report a 2D flexible porous coordination network, [Ni 2 (4,4'-bipyridine)(VTTF) 2 ]n(1) (where H 2 VTTF = 2,2;-[1,2-bis(4-benzoic acid)-1,2ethanediylidene]bis-1,3-benzodithiole), which exhibits large structural deformation from the as-synthesized or open phase (1α) into the closed phase (1β) after guest removal, as demonstrated by X-ray and electron diffraction. Interestingly, upon exposure to electron-withdrawing species, 1β reversibly undergoes guest accommodation transitions; 1α$\supset$O 2 (90 K) and 1α$\supset$N 2 O (185 K). Moreover, the 1β phase showed exclusive O 2 sorption over other gases (N 2 , Ar, and CO) at 120 K. The phase transformations between the 1α and 1β phases under these gases were carefully investigated by in-situ X-ray diffraction, in-situ spectroscopic studies, and DFT calculations, validating that the unusual sorption was attributed to the combination of flexible frameworks and VTTF (electron-donor) that induces strong interactions with electron-withdrawing species.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Calibration and validation of the foundation for a multiphase strength model for tin

In this work, the Common Model of Multi-phase Strength and Equation of State (CMMP) model was applied to tin. Specifically, calibrations of the strength-specific elements of the CMMP foundation were developed with a combination of experiments and theory, and then the model was validated experimentally. The first element of the foundation is a multi-phase analytic treatment of the melt temperature and the shear modulus for the solid phases. These models were parameterized for each phase based on ab initio calculations using the software VASP (Vienna Ab initio Simulations Package) based on density functional theory. The shear modulus model for the ambient phase was validated with ultrasonic sound speed measurements as a function of pressure and temperature. The second element of the foundation is a viscoplastic strength model for the phase, upon which strength for inaccessible higher-pressure phases can be scaled as necessary. The stress–strain response of tin was measured at strain rates of 10 -3 to 3 x 10 3 s -1 and temperatures ranging from 87 to 373 K. The Preston–Tonks–Wallace (PTW) strength model was fit to that data using Bayesian model calibration. For validation, six forward and two reverse Taylor impact experiments were performed at different velocities to measure large plastic deformation of tin at strain rates up to ⁠10 5 s -1 . The PTW model accurately predicted the deformed shapes of the cylinders, with modest discrepancies attributed to the inability of PTW to capture the effects of twinning and dynamic recrystallization. Some material in the simulations of higher velocity Taylor cylinders reached the melting temperature, thus testing the multiphase model because of the presence of a second phase, the liquid. In simulations using a traditional modeling approach, the abrupt reduction of strength upon melt resulted in poor predictions of the deformed shape and non-physical temperatures. With CMMP, the most deformed material points evolved gradually to a mixed solid–liquid but never a fully liquid state, never fully lost strength, stayed at the melt temperature as the latent heat of fusion was absorbed, and predicted the deformed shape well.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Eulerian simulation of complex suspensions and biolocomotion in three dimensions

Significance Fluid–structure interactions are ubiquitous in many natural and man-made environments. They are difficult to study analytically, and therefore accurate and flexible computational methods are an indispensable tool in the field. Typically, fluids are simulated with a fixed background computational mesh, whereas a solid is simulated with a mesh that moves with it, making it challenging to couple the two. Here we develop a three-dimensional computational method where both fluid and solid can be represented on a fixed computational grid, which simplifies the coupling between the two phases considerably. Our method can simulate scenarios that are difficult to do with other methods, such as complex suspensions containing soft particles that are both heavier and lighter than the fluid.

3D fluid-structure interaction↗
DOE OSTI2023

Detectability of subsolar mass neutron stars through a template bank search

Here, we study the detectability of gravitational-wave signals from subsolar-mass binary neutron star systems by the current generation of ground-based gravitational-wave detectors. We find that finite size effects from large tidal deformabilities of the neutron stars and lower merger frequencies can significantly impact the sensitivity of the detectors to these sources. By simulating a matched-filter based search using injected binary neutron star signals with tidal deformabilities derived from physically motivated equations of state, we calculate the reduction in sensitivity of the detectors. We conclude that the loss in sensitive volume can be as high as 78.4% for an equal mass binary system of chirp mass 0.17M ⊙ , in a search conducted using binary black hole template banks. We use this loss in sensitive volume, in combination with the results from the search for subsolar-mass binaries conducted on data collected by the LIGO-Virgo observatories during their first three observing runs, to obtain a conservative upper limit on the merger rate of subsolar-mass binary neutron stars. Since the discovery of a low-mass neutron star would provide new insight into formation mechanisms of neutron stars and further constrain the equation of state of dense nuclear matter, our result merits a dedicated search for subsolar-mass binary neutron star signals.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Enabling Particulate Materials Processing Science for High-Consequence, Small-Lot Precision Manufacturing

This Laboratory Directed Research and Development project developed and applied closely coupled experimental and computational tools to investigate powder compaction across multiple length scales. The primary motivation for this work is to provide connections between powder feedstock characteristics, processing conditions, and powder pellet properties in the context of powder-based energetic components manufacturing. We have focused our efforts on multicrystalline cellulose, a molecular crystalline surrogate material that is mechanically similar to several energetic materials of interest, but provides several advantages for fundamental investigations. We report extensive experimental characterization ranging in length scale from nanometers to macroscopic, bulk behavior. Experiments included nanoindentation of well-controlled, micron-scale pillar geometries milled into the surface of individual particles, single-particle crushing experiments, in-situ optical and computed tomography imaging of the compaction of multiple particles in different geometries, and bulk powder compaction. In order to capture the large plastic deformation and fracture of particles in computational models, we have advanced two distinct meshfree Lagrangian simulation techniques: 1.) bonded particle methods, which extend existing discrete element method capabilities in the Sandia-developed , open-source LAMMPS code to capture particle deformation and fracture and 2.) extensions of peridynamics for application to mesoscale powder compaction, including a novel material model that includes plasticity and creep. We have demonstrated both methods for simulations of single-particle crushing as well as mesoscale multi-particle compaction, with favorable comparisons to experimental data. We have used small-scale, mechanical characterization data to inform material models, and in-situ imaging of mesoscale particle structures to provide initial conditions for simulations. Both mesostructure porosity characteristics and overall stress-strain behavior were found to be in good agreement between simulations and experiments. We have thus demonstrated a novel multi-scale, closely coupled experimental and computational approach to the study of powder compaction. This enables a wide range of possible investigations into feedstock-process-structure relationships in powder-based materials, with immediate applications in energetic component manufacturing, as well as other particle-based components and processes.

36 MATERIALS SCIENCE↗
DOE OSTI2023

CHIPFoam Modification to Allow for Modelling SWIFT Foams

SWIFT (Silicon-water in Familiar Template) foams are silicone foams that have a continuous porosity without having any obvious spherical or ellipsoidal pore shapes. Like other foamed rubber, SWIFT foams can experience large reversible deformations. Because of their microstructure, SWIFT foams have a stiffering behavior in compression that is very abrupt compared to most other foamed rubbers. Work by Benedikt reported by Miller showed that fitting compressive test data with the CHIPFoam model in its current form is impractical and inaccurate. This report describes an extension made to CHIPFoam to allow the modeling of SWIFT foams. While the extension allows the modeling of SWIFT foams, it also extends the range of porosity of foams that can be modelled with CHIPFoam to include very high porosity (>99%) foamed rubber. The previous model was unstable for porosities greater than 70%. The changes made to CHIPFoam include the introduction of a critical porosity at which the compressible Danielsson strain energy function that couples volumetric and deviatoric mechanical behavior begins to increase with compression. This new feature also required the introduction of a third term in the multiplicative decomposition of the relative volume, J . The organization of this report is described here. The first section, SWIFT Foam Structure and Mechanical Behavior, describes the structure of SWIFT foams as contrasted to other foamed rubbers. It also contrasts the mechanical behavior of SWIFT foams to other more traditional foamed rubbers. The second section, CHIPFoam Modifications, describes the specific modifications done to be able to modify the delayed rapid compressive stiffening seen in SWIFT foams. The third section, Results, demonstrates the use of the modified model to fit compressive loading response data from a SWIFT foam sample. The fourth section, Conclusions and Further Work, puts the work in perspective and presents likely further work.

36 MATERIALS SCIENCE↗