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NASA NTRS2018

Measuring Work of Adhesion of Polystyrene Microspheres

Particle adhesion is relevant in fields ranging from aerospace and energy to civil engineering and medicine. The functions of aerodynamic surfaces, heat exchangers, solar panels, ventilation systems, and blood vessels are affected by the buildup of particulates on their surfaces. Direct measurement of the adhesive force between a particle and a surface is key to understanding and mitigating particle fouling. Approaches such as the Johnson-Kendall-Roberts (JKR) and Derjaguin-Muller-Toporov (DMT) models offer a first approximation of the forces involved but do not account for non-idealities like roughness or plastic deformation. Experimental measurements of adhesive forces often deviate significantly from predictions. One approach to measure adhesion is the colloidal probe technique, which uses a particle attached to the tip of an atomic force microscope (AFM) cantilever. The particle is touched to a surface and then withdrawn and a pull-off force (FPO) determined by cantilever deflection. FPO can be used to estimate work of adhesion (Wa) and other properties from existing models. We describe a new method for producing colloidal probes using wax as an adhesive to attach micrometer-scale spheres to AFM tips. This method can be used with a range of particles and minimizes the potential for changes to the particle surface chemistry or geometry from exposure to heat, chemicals, radiation, or external forces. Particle attachment to AFM tips is robust and reversible, allowing old particles to be replaced with new ones in a few minutes. Pull-off measurements using polystyrene (PS) particles, pristine and modified with myristyltrimethylammonium bromide (14-TAB), were collected from various substrates to demonstrate the viability of this technique and investigate the impact of particle surface modification.

Schmitz, Russell C.↗

NASA NTRSDate not supplied

Effect of Alloying Additions on Twinning in Ni-based Superalloys

Micro-twinning is the dominant creep deformation mechanism in Ni-based superalloys at temperatures above 700 °C. We use atomistic simulations to study two mechanisms of twin nucleation and growth that are characterized by qualitatively different rate limiting processes. In case of the mechanism proposed by Kolbe, the rate limiting process is diffusion-mediated atomic reshuffling. In case of the other mechanism, we proposed recently, the rate limiting process is nucleation of Shockley partial dislocation. We demonstrate the effects of alloying additions on functionality of these mechanisms.

Valery V Borovikov↗

DOE OSTI2024

Lifting of superconformal descendants in the D1-D5 CFT

We consider D1-D5-P states in the untwisted sector of the D1-D5 orbifold CFT where we excite one copy of the seed CFT with a left-moving superconformal descendant. When the theory is deformed away from this region of moduli space these states can ‘lift’, despite being BPS at the orbifold point. For descendants formed from the supersymmetry $^{Gα}_{Å,–s}$ and R-symmetry $^{Ja}_{–n}$ current modes we obtain explicit results for the expectation value of the lifts for various subfamilies of states at second order in the deformation parameter. A smooth ~ √h behaviour is observed in the lifts of these subfamilies for large dimensions. Using covering space Ward identities we then find a compact expression for the lift of the above $^{Ja}_{–n}$ descendant states valid for arbitrary dimensions. In the large-dimension limit this lift scales as ~ √h, strengthening the conjecture that this is a universal property of the lift of D1-D5-P states. We observe that the lift is not simply a function of the total dimension, but depends on how the descendant level is partitioned amongst modes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1991

Dynamic fatigue property of silicon carbide whisker-reinforced silicon nitride

The dynamic fatigue behavior of 30 vol pct SiC whisker-reinforced silicon nitride was determined in flexure as a function of temperature from 1100 to 1300 C in an air environment. The fatigue susceptibility parameter n decreased from 88.1 to 20.1 with increasing temperature from 1100 to 1300 C. A transition in the dynamic fatigue curve occurred at a lowest stressing rate of 2 MPa/min at a temperature of 1300 C, resulting in a considerably lower value of n = 5.8. This transition was primarily due to creep that was enhanced by a combination of high temperature and very slow deformation rate. The fatigue resistance of natural flaws at 1100 C was found to be greater than that of artificial flaws produced by indentation.

Choi, Sung R.↗

NASA NTRS1994

Thermomechanical Fatigue Damage/Failure Mechanisms in SCS-6/Timetal 21S [0/90](Sub S) Composite

The thermomechanical fatigue (TMF) deformation, damage, and life behaviors of SCS6/Timetal 21S (0/90)s were investigated under zero-tension conditions. In-phase (IP) and out-of-phase (OP) loadings were investigated with a temperature cycle from 150 to 650 deg C. An advanced TMF test technique was used to quantify mechanically damage progression. The technique incorporated explicit measurements of the macroscopic (1) isothermal static moduli at the temperature extremes of the TMF cycle and (2) coefficient of thermal expansion (CTE) as functions of the TMF cycles. The importance of thermal property degradation and its relevance to accurate post-test data analysis and interpretation is briefly addressed. Extensive fractography and metallography were conducted on specimens from failed and interrupted tests to characterize the extent of damage at the microstructure level. Fatigue life results indicated trends analogous to those established for similar unidirectional(0) reinforced titanium matrix composite systems. High stress IP and mid to low stress OP loading conditions were life-limiting in comparison to maximum temperature isothermal conditions. Dominant damage mechanisms changed with cycle type. Damage resulting from IP TMF conditions produced measurable decreases in static moduli but only minimal changes in the CTE. Metallography on interrupted and failed specimens revealed extensive (0) fiber cracking with sparse matrix damage. No surface initiated matrix cracks were present. Comparable OP TMF conditions initiated environment enhanced surface cracking and matrix cracking initiated at (90) fiber/matrix (F/M) interfaces. Notable static moduli and CTE degradations were measured. Fractography and metallography revealed that the transverse cracks originating from the surface and (90) F/M interfaces tended to converge and coalesce at the (0) fibers.

Castelli, Michael G.↗

NASA NTRS2019

Hydrogen Isotope Fractionation During Impact Degassing of Pyroxene and Maskelynite in Shergottite Larkman Nunatak 06319

Hydrogen in nominally anhydrous minerals (NAMs) in meteorites provides insight to mantle sources of indigenous water on differentiated bodies: e.g. Peslier et al. 2017 [1], including Mars [2-4]. However, all meteorite samples, including Martian shergottites, record impact events as fractures, deformation, silicate darkening, shock melt veins and pockets, etc. The effect of shock on hydrogen in NAMs is poorly constrained, and must be understood prior to using these data to infer planetary indigenous water. Here we present water contents and D/H ratios (calculated as dD, i.e. the variation of the D/H ratio relative to a standard, in this case sea water "SMOW") in pyroxene, olivine and maskelynite in the olivine-phyric shergottite Larkman Nunatak 06319 (LAR 06319) as a function of proximity to impact melt. While the results suggest impact may have a role in fractionating H isotopes, the magmatic signature of H2O in Mars can be preserved in some pyroxene.

Dudley, J. M.↗

DOE OSTI2021

On the correlation between plastic strain and misorientation in polycrystalline body-centered-cubic microstructures with an emphasis on the grain size, loading history, and crystallographic orientation

In this work, the correlation between plastic strain and crystallographic misorientation, grain size, grain orientation, distance from grain boundary, and loading history were investigated experimentally and numerically for body-centered-cubic (BCC) polycrystalline microstructures based on a misorientation deviation (MD) approach. Nine monotonic tensile experiments were performed on two BCC titanium alloys inside a scanning electron microscope (SEM). The influence of reference orientation was explored both at the grain scale and at the mesoscale using electron backscattered diffraction (EBSD). The correlation between global plastic strain and the MD was quantified. The tendency for orientation change was quantified as a function of plastic strain and grain orientation for three crystallographic orientations (i.e., [100], [110], and [111]) with respect to tensile direction. The subpopulation of small grains exhibited a lower level of misorientation dispersion compared with larger grains, and this discrepancy became more pronounced at higher strains. An empirical equation was proposed to estimate the level of misorientation dispersion for individual grains as a function of grain size and global plastic strain level. Two interrupted in-situ SEM experiments were performed, and this resulted in a significantly increased misorientation compared with uninterrupted tests performed to similar plastic strain levels.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Characterization of Deformational Isomerization Potential and Interconversion Dynamics with Ultrafast X-ray Solution Scattering

Dimeric complexes composed of d 8 square planar metal centers and rigid bridging ligands provide model systems to understand the interplay between attractive dispersion forces and steric strain in order to assist the development of reliable methods to model metal dimer complexes more broadly. [Ir 2 (dimen) 4 ] 2+ (dimen = para-diisocyanomenthane) presents a unique case study for such phenomena, as distortions of the optimal structure of a ligand with limited conformational flexibility counteract the attractive dispersive forces from the metal and ligand to yield a complex with two ground state deformational isomers. Here, in this work, we use ultrafast X-ray solution scattering (XSS) and optical transient absorption spectroscopy (OTAS) to reveal the nature of the equilibrium distribution and the exchange rate between the deformational isomers. The two ground state isomers have spectrally distinct electronic excitations that enable the selective excitation of one isomer or the other using a femtosecond duration pulse of visible light. We then track the dynamics of the nonequilibrium depletion of the electronic ground state population—often termed the ground state hole—with ultrafast XSS and OTAS, revealing a restoration of the ground state equilibrium in 2.3 ps. This combined experimental and theoretical study provides a critical test of various density functional approximations in the description of bridged d 8 –d 8 metal complexes. The results show that density functional theory calculations can reproduce the primary experimental observations if dispersion interactions are added, and a hybrid functional, which includes exact exchange, is used.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Study of ponderomotive instability in the FRIB beta=0.53 half-wave resonator

Superconducting radio-frequency niobium cavities are susceptible to deformations caused by external or internal forces, leading to shifts in the cavity resonant frequency. One source of deformation comes from the radiation pressure of the cavity fields, producing the so-called Lorentz force detuning effect. This effect can couple to the cavity mechanical modes in generator driven mode, leading to ponderomotive instability. In the FRIB 322 MHz, β=0.53 Half-wave Resonators (HWR), the instability appeared when the cavity was detuned, with thresholds depending on low-level RF control parameters, such as closed loop gain, as well as accelerating gradient. Using a measured Lorentz Transfer Function, Simulink simulations were conducted to predict the instability thresholds, which were then compared with the experimental results. We will discuss how these thresholds can be broadened to enable stable operation at higher gradients.

Accelerator Physics↗

NASA NTRS1988

A viscoplastic constitutive theory for metal matrix composites at high temperature

A viscoplastic constitutive theory is presented for representing the high temperature deformation behavior of metal matrix composites. The point of view taken is a continuum one where the composite is considered a material in its own right, with its own properties that can be determined for the composite as a whole. It is assumed that a single preferential (fiber) direction is identifiable at each material point (continuum element) admitting the idealization of local transverse isotropy. A key ingredient is the specification of an experimental program for the complete determination of the material functions and parameters for characterizing a particular metal matrix composite. The parameters relating to the strength of anisotropy can be determined through tension/torsion tests on longitudinally and circumferentially reinforced thin walled tubes. Fundamental aspects of the theory are explored through a geometric interpretation of some basic features analogous to those of the classical theory of plasticity.

Robinson, David N.↗

NASA NTRS2019

The Effect Stacking Fault Segregation and Phase Transformations have on Creep Strength in Ni-based Superalloys

In this study, two commercially similar polycrystalline Ni-based disk superalloys (LSHR and ME3) were creep tested at 760C and 552MPa to approximately 0.3% plastic strain. LSHR consistently displayed superior creep properties at this stress/temperature regime even though the microstructural characteristics between the two alloys were comparable. High resolution structural and chemical analysis, however, revealed significant differences between the two alloys among active gamma prime shearing modes involving superlattice intrinsic and extrinsic stacking faults. In ME3, Co and Cr segregation and Ni and Al depletion were observed along the intrinsic faults - revealing a gamma prime -to- gamma phase transformation. Conversely in LSHR, an alloy with a higher W content, Co and W segregation was observed along the intrinsic faults. This observation combined with scanning transmission electron microscopy (STEM) simulations confirm a gamma prime-to-D019 phase transformation along the intrinsic faults in LSHR. Using experimental observations and density functional theory calculations, a novel local phase transformation strengthening mechanism is proposed that could be further utilized to improve the high temperature creep capabilities of Ni-base disk alloys.

Superalloy↗

DOE OSTI2024

Tardigrade, Version 1.1x

Tardigrade is a collection of functions, libraries, and stand-alone code which enables the simulation of materials using the higher-order micromorphic framework. The tools present are the interface to INL's MOOSE code which is used as the underlying FEA solver, several constitutive equations (linear elasticity, a pressure-sensitive elasto-plastic model, crystal plasticity, and additional models for geo-materials) useful for demonstration purposes and the simulation of some materials, the micromorphic filter which converts DNS information to micromorphic stress-deformation quantities, and the overlap coupling framework which enables multi-scale simulations of a coupled higher-order macroscale and a classically defined microscale.

Miller, Nathan↗

NASA NTRS2017

Atmospheric Form Drag Coefficients Over Arctic Sea Ice Using Remotely Sensed Ice Topography Data, Spring 2009-2015

Sea ice topography significantly impacts turbulent energy/momentum exchange, e.g., atmospheric (wind) drag, over Arctic sea ice. Unfortunately, observational estimates of this contribution to atmospheric drag variability are spatially and temporally limited. Here we present new estimates of the neutral atmospheric form drag coefficient over Arctic sea ice in early spring, using high-resolution Airborne Topographic Mapper elevation data from NASA's Operation IceBridge mission. We utilize a new three-dimensional ice topography data set and combine this with an existing parameterization scheme linking surface feature height and spacing to form drag. To be consistent with previous studies investigating form drag, we compare these results with those produced using a new linear profiling topography data set. The form drag coefficient from surface feature variability shows lower values [less than 0.5-1 × 10(exp. −3)] in the Beaufort/Chukchi Seas, compared with higher values [greater than 0.5-1 ×10(exp. −3)] in the more deformed ice regimes of the Central Arctic (north of Greenland and the Canadian Archipelago), which increase with coastline proximity. The results show moderate interannual variability, including a strong increase in the form drag coefficient from 2013 to 2014/2015 north of the Canadian Archipelago. The form drag coefficient estimates are extrapolated across the Arctic with Advanced Scatterometer satellite radar backscatter data, further highlighting the regional/interannual drag coefficient variability. Finally, we combine the results with existing parameterizations of form drag from floe edges (a function of ice concentration) and skin drag to produce, to our knowledge, the first pan-Arctic estimates of the total neutral atmospheric drag coefficient (in early spring) from 2009 to 2015.

sea ice↗

DOE OSTI2022

Characterization of a 1D-imaging high-energy x-ray backlighter driven by the National Ignition Facility Advanced Radiographic Capability laser

Plastic deformation of samples compressed to Mbar pressures at high strain rates at the National Ignition Facility (NIF) forms the basis of ongoing material strength experiments in conditions relevant to meteor impacts, geophysics, armor development, and inertial confinement fusion. Hard x-ray radiography is the primary means of measuring the evolution of these samples, typically employing a slit-collimated high-Z microdot driven by the NIF laser to generate >40 keV x rays [E. Gumbrell et al., Rev. Sci. Instrum. 89, 10G118 (2018) and C. M. Huntington et al., Rev. Sci. Instrum. 89, 10G121 (2018)]. Alternatively, a dysprosium “micro-flag” target driven by the Advanced Radiographic Capability laser (~2 kJ, 10 ps) can deliver significantly higher spatiotemporal resolution [M. P. Hill et al., Rev. Sci. Instrum. 92, 033535 (2021)], especially in high-opacity samples. Here, initial experiments revealed problematic brightness and spectral gradients from this source, but by radiographing a set of diamond-turned, 105 µm-thick Pb test objects and supported by simulations using the 3D Monte Carlo code GEANT4, these geometry-dependent gradients across the field of view are quantified and mitigation strategies are assessed. In addition to significantly enhancing the modulation transfer function compared to the existing system, image stacking from multiple layers of image plate is shown to almost double the signal to noise ratio that will reduce uncertainties in future dynamic strength experiments.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Electronic density of states as the descriptor of elastic bond strength, ductility, and local lattice distortion in BCC refractory alloys

Although electronic density of states (DOS) is fundamental to materials properties, its general relationship to mechanical properties of alloys is not well established. In this paper, using density functional theory (DFT) calculations, we show that the electronic occupancy at the Fermi level, N(E f ), obtained from DOS is a key descriptor of alloy strength and ductility. Our comprehensive analysis of numerous body centered cubic (BCC) refractory high entropy alloys (RHEAs) shows an overwhelming correlation that low N(E f ) indicates strong bonds that have high stiffness resulting in high elastic constants. High bond stiffness indicates presence of covalent nature of bonds that are directional in nature resulting in resistance to deformation leading to high bulk (B) and shear (G) moduli. Consequently, N(E f ) provides a direct correlation to the tendency of alloy ductility evidenced in the Pugh ratio (G/B). As stiffer bonds result in lower local lattice distortion (LLD), N(E f ) are LLD are also found to be corelated which opens up a correlation to solid solution strengthening and yield strength. Thus, this work unveils fundamental correlations between N(E f ) and (1) elastic bond strength, (2) ductility, and (3) LLD. These correlations open opportunities for the design of high strength high ductile RHEAs.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Self-Sensing Composites via an Embedded 3D-Printed PVDF-MoS 2 Nanosensor for Structural Health Monitoring

Carbon fiber (CF)-reinforced epoxy composites are widely used in vehicle applications, where early damage detection is crucial for reliability and safety. To address this need, we developed a self-sensing epoxy/CF composite by embedding a PVDF-MoS 2 nanosensor via an embedded 3D printing method. By harnessing the intrinsic curing kinetics of epoxy, we tailored its rheological properties to optimize the embedded printing process, enabling precise and reliable support for sensor filaments without compromising the composite’s structural and functional integrity. Through comprehensive rheological and kinetic analysis, we established a quantitative relationship among curing temperature, conversion rate, and resulting yield modulus─defining a narrow processing window essential for successful sensor integration. Specifically, we identified that an epoxy yield modulus range of 180–294 Pa and a conversion rate below 10% are critical to support the PVDF-MoS 2 filament architecture. Here, this embedded 3D printing method produces complex and multimaterial PVDF-MoS 2 sensors within an epoxy matrix with minimal deformation and reduced postprocessing, which is scalable and adaptable for industrial applications. Under cyclic loading, the embedded sensors exhibited stable signals under constant loads and increased voltage signals in response to crack formation (17–35% higher) and catastrophic failure (1 order of magnitude higher), effectively capturing structural changes in real time. This study demonstrates the potential of PVDF-MoS 2 nanocomposite sensor materials for real-time structural health monitoring in epoxy–CF composite systems, enabling early detection of defects and stress anomalies, significantly reducing the risk of unexpected failures, and enhancing structural reliability.

PVDF-MoS2 sensor↗

NASA NTRS1983

Dynamic-mechanical response of graphite/epoxy composite laminates and neat resin

Dynamic mechanical measurement results are presented for the case of carbon fiber-reinforced, epoxy matrix composite laminates subjected to loading perpendicular to the lamination plane, as well as for neat epoxy resin under the same conditions, where temperatures ranged between 20 and 200 C and deformation levels lie within the linear viscoelastic region. In-phase and out-of-phase stiffnesses are found to become superposed, forming master curves that cover a 12-decade frequency range. The application of a master curve scaling procedure shows that the in-phase stiffness has the same shape, and out-of-phase stiffness has the same dispersion, for all laminates irrespective of stacking sequence and are, in turn, nearly identical to those for the neat epoxy resin. An empirical function is found for the relaxation modulus which, when converted to a dynamic modulus, yields good overall agreement for both of the dynamic stiffness components as a function of frequency.

Yang, P.↗

DOE OSTI2022

$\mathrm{IH}$-$\mathrm{GAN}$: A conditional generative model for implicit surface-based inverse design of cellular structures

Variable-density cellular structures can overcome connectivity and manufacturability issues of topologically optimized structures, particularly those represented as discrete density maps. However, the optimization of such cellular structures is challenging due to the multiscale design problem. Past work addressing this problem generally either only optimizes the volume fraction of single-type unit cells but ignoring the effects of unit cell geometry on properties, or considers the geometry–property relation but builds this relation via heuristics. In contrast, we propose a simple yet more principled way to accurately model the property to geometry mapping using a conditional deep generative model, named Inverse Homogenization Generative Adversarial Network (IH-GAN). It learns the conditional distribution of unit cell geometries given properties and can realize the one-to-many mapping from properties to geometries. Here we further reduce the complexity of IH-GAN by using the implicit function parameterization to represent unit cell geometries. Results show that our method can 1) generate various unit cells that satisfy given material properties with high accuracy (R 2 -scores between target properties and properties of generated unit cells >98%) and 2) improve the optimized structural performance over the conventional variable-density single-type structure. In the minimum compliance example, our IH-GAN generated structure achieves a 79.7% reduction in concentrated stress and an extra 3.03% reduction in displacement. In the target deformation examples, our IH-GAN generated structure reduces the target matching error by 86.4% and 79.6% for two test cases, respectively. We also demonstrated that the connectivity issue for multi-type unit cells can be solved by transition layer blending.

42 ENGINEERING↗