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DOE OSTI2022

Atomistic modeling of surface and grain boundary dislocation nucleation in FCC metals

Dislocation nucleation plays a critical role in the plastic deformation of crystalline materials. However, it is challenging to predict the active mode and associated rate of dislocation nucleation under typical experimental loading conditions through molecular dynamics simulation due to timescale limitations. In this report we use the free-end nudged elastic band method to determine the activation energies and activation volumes of dislocation nucleation in four typical face-centered cubic metals of Au, Al, Cu and Ni. We focus on the representative processes of surface and grain boundary dislocation nucleation. The atomistically determined activation volumes of these dislocation nucleation processes are larger than 10b3 (with b being the Burgers vector length) under typical experimental loading conditions. These results are compared with experimentally measured activation volumes in ultrafine-grained and nanocrystalline metals, thereby providing mechanistic insight into their rate-controlling deformation mechanisms.

36 MATERIALS SCIENCE↗

NASA NTRS2005

Finite Macro-Element Mesh Deformation in a Structured Multi-Block Navier-Stokes Code

A mesh deformation scheme is developed for a structured multi-block Navier-Stokes code consisting of two steps. The first step is a finite element solution of either user defined or automatically generated macro-elements. Macro-elements are hexagonal finite elements created from a subset of points from the full mesh. When assembled, the finite element system spans the complete flow domain. Macro-element moduli vary according to the distance to the nearest surface, resulting in extremely stiff elements near a moving surface and very pliable elements away from boundaries. Solution of the finite element system for the imposed boundary deflections generally produces smoothly varying nodal deflections. The manner in which distance to the nearest surface has been found to critically influence the quality of the element deformation. The second step is a transfinite interpolation which distributes the macro-element nodal deflections to the remaining fluid mesh points. The scheme is demonstrated for several two-dimensional applications.

Bartels, Robert E.↗

NASA NTRS1996

Surface Fatigue Resistance with Induction Hardening

Induction hardening has been used for some years to harden the surface and improve the strength and service life of gears and other components. Many applications that employ induction hardening require a relatively long time to finish the hardening process and controlling the hardness of the surface layer and its depth often was a problem. Other surface hardening methods, ie., carbonizing, take a very long time and tend to cause deformations of the toothing, whose elimination requires supplementary finishing work. In double-frequency induction hardening, one uses a low frequency for the preheating of the toothed wheel and a much higher frequency for the purpose of rapidly heating the surface by way of surface hardening.

Townsend, Dennis↗

NASA NTRSDate not supplied

The Stop-and-Go Mechanism: Towards an Integrated Approach to Model Seismicity, Outgassing, Deformation, and Thermal Unrest at Active Volcanoes

Connecting the geophysical and geochemical signals recorded at and above the surface of volcanoes with source mechanisms is fundamental to understand transitions from quiescence to eruption, and to integrate the behavior of volcanoes with their regional seismotectonic and hydrological context. Some of these signals include shallow volcanic tremor, a long-lasting (minutes-to-years) ground vibration detected in volcanic areas during unrest; volcanic outgassing, which shows intriguing periodicities over multiple scales, as revealed by space-borne instruments and by ground-based, high-frequency (~1 Hz), sampling methods; inflation and deflation of volcanic edifices, commonly associated with subsurface volume changes; and large-scale (from a few to tens of km2), low-temperature, thermal anomalies, a newly-discovered signal that has been observed to emerge on volcanic flanks from months-to-years prior to gas- and magma-driven eruptions. Traditionally, these geophysical and geochemical signals have been modelled independently, which limits our interpretation of subsurface processes and thus our assessment of unrest. In this work, we show through lumped-parameter models, numerical simulations, and preliminary laboratory experiments that many of the signals recorded around volcanoes can be integrated into a common “stop-and-go” mechanism. In particular, we found that they can arise spontaneously when taking into account the feedbacks between the temporary accumulation of gas and/or magma in the crust (“stop”), and the diffusive transfer of gas and heat towards the surface (“go”). For example, we find that the “stop-and-go” mechanism can explain: (i) the emergence of monochromatic, broadband, and harmonic tremor; (ii) the periodic components commonly observed in volcanic outgassing time series; (iii) the link between large-scale thermal anomalies and shallow hydrothermal systems; (iv) the reported time lags between large-scale thermal anomalies and deformation; and (v) the breathing of potentially destructive volcanic calderas. The “stop-and-go” mechanism provides a consistent and realistic framework to link multiple geophysical and geochemical signals with the processes leading to volcanic unrest and eruption.

volcanoes↗

DOE OSTI2021

In situ high-energy X-ray study of deformation mechanisms in additively manufactured 316L stainless steel

A key structural material planned to be used in the core of the Transformational Challenge Reactor is the additively manufactured 316L stainless steel (AM 316L SS). While the deformation of conventionally-manufactured 316 SS have been extensively studied, the deformation mechanism of AM 316L SS is less known. Here the room-temperature tensile behavior of AM 316L SS was studied in situ using high-energy X-ray diffraction and X-ray tomography. Diffraction yielded the lattice strains and the dislocation densi-ties of the AM 316L SS, which were compared to those of a conventionally processed 316H SS. It was found that while the conventional 316H SS had three distinct deformation stages, namely stage II ather-mal hardening, stage III dynamic recovery, and stage IV, the AM 316L experienced only the stages III and IV after an initial transitional period. The plastic instability stresses (PIS), i.e. the true ultimate tensile strength, were nearly the same in both materials. The AM 316L had very low dislocation barrier strength throughout the plastic deformation, which, in combination with the invariant PIS, explained its high dis-location storage capability and the attractive combination of strength and ductility. Tomography revealed morphological changes of the built-in pores in the AM 316L during deformation and fracture, and it was concluded that large pores close to the surface might have significant roles in the necking stage.

316 stainless steel↗

DOE OSTI2024

Plasticity-mediated deformation instabilities in thin film-compliant substrate systems: direct three-dimensional simulations

Abstract Surface wrinkles driven by mechanical instability commonly form in thin-film structures attached to a compliant substrate. In this study, a recently developed computational approach is employed to simulate the formation and transformation of wrinkles involving plastic yielding of the thin film. The three-dimensional (3D) finite element models contain an embedded imperfection at the film-substrate interface, serving to trigger the bifurcation modes. Successful application of this technique to allow for film plasticity is demonstrated, including the evolution of 3D surface patterns and their correlation with the overall load–displacement response. The simulations reveal that plastic yielding transforms the surface instability patterns into more localized forms. Under uniaxial loading, the sinusoidal elastic wrinkles undergo the wrinkle-to-fold transition. With equi-biaxial loading, the initial square-checkerboard array turns into continuous tall ridges along the 45° directions. In both loading modes, the plasticity-induced instability patterns are only partially relieved upon unloading, leaving permanent features on the surface.

36 MATERIALS SCIENCE↗

NASA NTRS1993

The resurfacing controversy for Venus: An overview and a mechanistic perspective

Two remarkable aspects of the population of impact craters on Venus are that craters at all sizes are indistinguishable from a random population and that most craters have not been significantly modified by tectonic strain or by volcanic flows external to the crater rim, despite evidence from Magellan images that volcanic and tectonic features are widespread on Venus. One interpretation of these observations is that most of the surface dates from the end of a catastrophic global resurfacing event that ceased about 500 My ago, and that a small fraction of craters volcaniclly embayed or modified by deformation indicate that volcanic and tectonic activity subsequent to that time has been at much lower levels. A competing scenario, in which resurfacing occurs episodically in patches a few hundred kilometers in extent and there is a wider spectrum of surface ages, also appears to be consistent with the characteristics of impact craters on Venus. While geological and statistical studies of the crater population on Venus offer some promise for distinguishing between these two hypotheses, consideration of the possible mechanisms of catastrophic episodic resurfacing provides an independent perspective. Potential mechanisms for catastrophic resurfacing of Venus range from geologically sudden convective destabilization of the global lithosphere to strongly time-dependent heat flux and melt generation in the underlying mantle. For most of these mechanisms, resurfacing occurs implicitly or explicitly by volcanism. An alternative hypothesis is that, at least in the geologically recent history of Venus, the primary resurfacing mechanism has been tectonic deformation rather than volcanism. Because the rate of surface strain should be controlled by the temperature-dependent strength of the lower crust, a geologically rapid transition in surface strain rates should be the natural result of planetary cooling. This transition would occur at comparable times for areas of similar crustal thickness and heat flow, but would be delayed for regions of thicker or hotter crust. The end of the era of high rates of tectonic resurfacing could thus appear as a 'catastrophe' over the 80% of the planet with an elevation within 1 Km of the mean, while continued deformation would give rise to 'episodic' resurfacing to much younger times in the highlands, a result consistent with lower crater densities seen in highland regions.

Solomon, Sean C.↗

NASA NTRS1979

Anisotropic friction, deformation, and fracture of single-crystal silicon carbide at room temperature

Anisotropic friction, deformation, and fracture studies were conducted with /0001/, /10(-1)0/, and /11(-2)0/ silicon carbide surfaces in sliding contact with diamond. The experiments were conducted with loads of 0.1, 0.2, and 0.3 N at a sliding velocity of 3 mm/min in mineral oil or in dry argon at room temperature. The 1010 direction on the basal /0001/ plane exhibits the lowest coefficient of friction and the greatest resistance to abrasion for silicon carbide. Anisotropic friction and deformation of the /0001/, /10(-1)0/, and /11(-2)0/ silicon carbide surfaces are primarily controlled by the slip system /10(-1)0/ 11(-2)0. The anisotropic fracture during sliding on the basal plane is due to surface cracking along /10(-1)0/ and subsurface cracking along /0001/. The fracture during sliding on the /11(-2)0/ or /10(-1)0/ surfaces is due to surface cracking along /0001/ and /11(-2)0/ or /10(-1)-1 and to subsurface cracking along /10(-1)0/.

Miyoshi, K.↗

NASA NTRS2005

Introduction of the ASP3D Computer Program for Unsteady Aerodynamic and Aeroelastic Analyses

A new computer program has been developed called ASP3D (Advanced Small Perturbation 3D), which solves the small perturbation potential flow equation in an advanced form including mass-consistent surface and trailing wake boundary conditions, and entropy, vorticity, and viscous effects. The purpose of the program is for unsteady aerodynamic and aeroelastic analyses, especially in the nonlinear transonic flight regime. The program exploits the simplicity of stationary Cartesian meshes with the movement or deformation of the configuration under consideration incorporated into the solution algorithm through a planar surface boundary condition. The new ASP3D code is the result of a decade of developmental work on improvements to the small perturbation formulation, performed while the author was employed as a Senior Research Scientist in the Configuration Aerodynamics Branch at the NASA Langley Research Center. The ASP3D code is a significant improvement to the state-of-the-art for transonic aeroelastic analyses over the CAP-TSD code (Computational Aeroelasticity Program Transonic Small Disturbance), which was developed principally by the author in the mid-1980s. The author is in a unique position as the developer of both computer programs to compare, contrast, and ultimately make conclusions regarding the underlying formulations and utility of each code. The paper describes the salient features of the ASP3D code including the rationale for improvements in comparison with CAP-TSD. Numerous results are presented to demonstrate the ASP3D capability. The general conclusion is that the new ASP3D capability is superior to the older CAP-TSD code because of the myriad improvements developed and incorporated.

Batina, John T.↗

NASA NTRS2006

Application of the ASP3D Computer Program to Unsteady Aerodynamic and Aeroelastic Analyses

A new computer program has been developed called ASP3D (Advanced Small Perturbation - 3D), which solves the small perturbation potential flow equation in an advanced form including mass-consistent surface and trailing wake boundary conditions, and entropy, vorticity, and viscous effects. The purpose of the program is for unsteady aerodynamic and aeroelastic analyses, especially in the nonlinear transonic flight regime. The program exploits the simplicity of stationary Cartesian meshes with the movement or deformation of the configuration under consideration incorporated into the solution algorithm through a planar surface boundary condition. The paper presents unsteady aerodynamic and aeroelastic applications of ASP3D to assess the time dependent capability and demonstrate various features of the code.

Batina, John T.↗

NASA NTRS1997

Analysis of Smart Composite Structures Including Debonding

Smart composite structures with distributed sensors and actuators have the capability to actively respond to a changing environment while offering significant weight savings and additional passive controllability through ply tailoring. Piezoelectric sensing and actuation of composite laminates is the most promising concept due to the static and dynamic control capabilities. Essential to the implementation of these smart composites are the development of accurate and efficient modeling techniques and experimental validation. This research addresses each of these important topics. A refined higher order theory is developed to model composite structures with surface bonded or embedded piezoelectric transducers. These transducers are used as both sensors and actuators for closed loop control. The theory accurately captures the transverse shear deformation through the thickness of the smart composite laminate while satisfying stress free boundary conditions on the free surfaces. The theory is extended to include the effect of debonding at the actuator-laminate interface. The developed analytical model is implemented using the finite element method utilizing an induced strain approach for computational efficiency. This allows general laminate geometries and boundary conditions to be analyzed. The state space control equations are developed to allow flexibility in the design of the control system. Circuit concepts are also discussed. Static and dynamic results of smart composite structures, obtained using the higher order theory, are correlated with available analytical data. Comparisons, including debonded laminates, are also made with a general purpose finite element code and available experimental data. Overall, very good agreement is observed. Convergence of the finite element implementation of the higher order theory is shown with exact solutions. Additional results demonstrate the utility of the developed theory to study piezoelectric actuation of composite laminates with pre-existing debonding. Significant changes in the modes shapes and reductions in the control authority result due to partially debonded actuators. An experimental investigation addresses practical issues, such as circuit design and implementation, associated with piezoelectric sensing and actuation of composite laminates. Composite specimens with piezoelectric transducers were designed, constructed and tested to validate the higher order theory. These specimens were tested with various stacking sequences, debonding lengths and gains for both open and closed loop cases. Frequency changes of 15% and damping on the order of more than 20% of critical damping, via closed loop control, was achieved. Correlation with the higher order theory is very good. Debonding is shown to adversely affect the open and closed loop frequencies, damping ratios, settling time and control authority.

Chattopadhyay, Aditi↗

DOE OSTI2020

Self-aligning swaging punch and method for swaging

A self-aligning swaging punch is provided for adjoining together a pin and a workpiece having a pinhole. The swaging punch comprises a shaft and a tip having an open-ended cavity. The shaft transfers an axial force from a press or hammer to the tip. The tip transfers the axial force from the shaft to a top surface of the workpiece near the pinhole. The tip may be spherical in shape for evenly deforming the workpiece near the upper edge of the pinhole. The open-ended cavity receives the pin therein and allows the pin to extend at least partially into the open-ended cavity while the tip contacts the workpiece. The open-ended cavity also ensures that the swaging punch is aligned with the pinhole and perpendicular to the surface of the workpiece when the pin is inserted into the pinhole such that the workpiece evenly deforms and presses against the pin.

42 ENGINEERING↗

DOE OSTI2020

Mechanical seal with high pressure high temperature secondary seal

A secondary seal of a mechanical seal comprises an annular sealing gasket and backing plate surrounding a cylindrical sealing surface, all of which can be made of the same metallic material. The gasket is C-shaped in cross section, and is axially pressed during operation into a C-shaped groove formed in the backing plate, the groove being shallower and larger in inner diameter than the gasket, so that the gasket, when pressed into the groove, deforms radially inward and seals against both the backing plate and the sealing surface. The contact area between the gasket and sealing surface increases with pressure. In embodiments, when the pressure is released, the gasket retracts from the sealing surface, allowing easy disassembly and allowing axial movement of the gasket and backing plate. Highly polished surfaces of the gasket and sealing surface can allow axial motion thereof during operation to maintain the seal face gap.

42 ENGINEERING↗

DOE OSTI2022

BISON validation of FeCrAl cladding mechanical failure during simulated reactivity-initiated accident conditions*

Here, a reactivity-initiated accident (RIA) is a postulated design basis accident in light water reactors (LWRs) in which a rapid reactivity insertion induces a fission rate increase and a fuel pellet temperature rise. During RIA, the fuel pellet thermally expands and may cause pellet-cladding mechanical interaction (PCMI). Separate effects PCMI tests were performed on C26M FeCrAl cladding tube samples, introducing biaxial stress via a well understood modified burst test (MBT) system. A high-speed camera in the MBT system captured the projections, covering a 360° view of the cladding deformation and enabling a digital image correlation (DIC) method to quantify the surface strains with high fidelity. Representative hot zero-power RIA mechanical loading conditions were applied to the sample, and the test duration ranged from 20 to 500 ms at an average temperature of 573 K. BISON finite element–based fuel performance code modeling was performed against the high-fidelity DIC data produced from the MBTs. Validation calculations were conducted with 2D models and systematically compared with test data of the burst time, burst pressure, burst hoop strains, and hoop strain rates. Based on the behaviors from the separate effects test, BISON calculations satisfactorily predicted the cladding deformation behaviors. Sensitivity analysis was conducted to identify highly influential mechanical properties responsible for the cladding failure behavior during the MBT experiments. The results highlight the significance of the cladding's mechanical strength in governing cladding strain, followed by the significance of the mechanical interactions between the pellet and the cladding.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

A Geometric Volume of Fluid-Based Multiphase Flow Solver Extension to the Reacting Flow Solver, PeleLM

A new algorithm is presented to simulate multiphase flows with surface tension in a pathway for spray combustion simulation. The algorithm combines capabilities from two open-source packages, including the interface reconstruction library (IRL), a library of computational geometry routines to enable the volume of fluid (VOF) method, and PeleLM, a solver for the reacting Navier-Stokes equations. Additionally, surface tension is implemented using the continuum surface force (CSF) model with an improved height function technique in the volume fraction field. Spurious errors in volume fraction arising from our combined strategy are corrected through a topology-based method that improves both numerical stability and accuracy. Multiple validation simulations are conducted, including (i) translations and rotations of Zalesak's disk, (ii) a stationary circular droplet with surface tension, (iii) an oscillating elliptical droplet, and (iv) three-dimensional deformation of a spherical droplet. Results indicate that the combined scheme retains the favorable properties of each of the component algorithms.

42 ENGINEERING↗

DOE OSTI2020

In Situ Strain Evolution on Pt Nanoparticles during Hydrogen Peroxide Decomposition

Fundamental understanding of structural changes during catalytic reactions is crucial to understanding the underlying mechanisms and optimizing efficiencies. Surface energy and related catalytic mechanisms are widely studied. However, the catalyst lattice deformation induced by catalytic processes is not well understood. Here, we study the strain in an individual platinum (Pt) nanoparticle (NP) using Bragg coherent diffraction imaging under in situ oxidation and reduction reactions. When Pt NPs are exposed to H 2 O 2 , a typical oxidizer and an intermediate during the oxygen reduction reaction process, alternating overall strain distribution near the surface and inside the NP is observed at the (111) Bragg reflection. In contrast, relatively insignificant changes appear in the (200) reflection. Density functional theory calculations are employed to rationalize the anisotropic lattice strain in terms of induced stress by H 2 O 2 adsorption and decomposition on the Pt NP surface. Our study provides deeper insight into the activity-structure relationship in this system.

3D imaging↗

NASA NTRS2003

Helium Cryo Testing of a SLMS(TM) (Silicon Lightweight Mirrors) Athermal Optical Assembly

SLMS (TM) a thermal technology has been demonstrated in the small 4-foot helium cryogenic test chamber located at the NASA/MSFC X-Ray Calibration Facility (XRCF). A SLMS (TM) Ultraviolet Demonstrator Mirror (UVDM) produced by Schafer under a NASA/MSFC Phase I SBIR was helium cryo tested both free standing and bonded to a Schafer designed prototype carbon fiber reinforced silicon carbide (Cesic) mount. Surface figure data was obtained with a test measurement system that featured an Instantaneous Phase Interferometer (IPI) by ADE Phase Shift. The test measurement system s minimum resolvable differential figure deformation and possible contributions from test chamber ambient to cryo window deformation are under investigation. The free standing results showed differential figure deformation of 10.4 nm rms from 295K to 27K and 3.9 nm rms after one cryo cycle. The surface figure of the UVDM degraded by lambda/70 rms HeNe once it was bonded to the prototype Cesic mount. The change was due to a small astigmatic aberration in the rototype Cesic mount due to lack of finish machining and not the bonding technique. This effect was seen in SLMST (TM) optical assembly results, which showed differential figure deformation of 46.5 nm rms from 294K to 27K, 42.9 nm rms from 294K to 77K, 28.0 nm rms from 294K to 193K and 6.2 nm rms after one cryo cycle.

Jacoby, Marc T.↗

NASA NTRS2003

Membrane Mirrors With Bimorph Shape Actuators

Deformable mirrors of a proposed type would be equipped with relatively-large-stroke microscopic piezoelectric actuators that would be used to maintain their reflective surfaces in precise shapes. These mirrors would be members of the class of MEMS-DM (for microelectromechanical system deformable mirror) devices, which offer potential for a precise optical control in adaptive-optics applications in such diverse fields as astronomy and vision science. The proposed mirror would be fabricated, in part, by use of a membrane-transfer technique. The actuator design would contain bimorph-type piezoelectric actuators.

Yang, Eui-Hyeok↗