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DOE OSTI2022

3D printing of void-free glass monoliths: rheological and geometric considerations

Direct ink writing (DIW) is a versatile additive manufacturing technique capable of printing 3D architectures from a broad range of materials. The key advantage of DIW is the ability to spatially control both the architecture and the composition of the printed part, which enables the production of components with previously unachievable combinations of functionalities. One emergent application space for DIW has been in additively manufactured glass optics, where a “green body” is patterned layer-by-layer by extruding a silica-based slurry through a microfluidic nozzle and then thermally consolidated to transparent glass. A critical aspect of the process is ensuring that the printed part is completely free of voids that can occur in the interstitial spaces between the extruded filaments. This outcome is governed by the interplay between ink rheology and strains imposed by the printing process and geometric packing of the filaments. Here, we explore the strain- and rate-dependent deformation events in the DIW process to determine conditions that enable the printing of void-free monoliths without sacrificing shape fidelity. We focus on yield stress fluids consisting of fumed silica nanoparticles dispersed in organic solvents at varied volume fractions to control the rheological properties. We investigate the printability of these ink materials as a function of print process variables and devise the appropriate dimensionless parameters that capture the geometry-dependent and rate-dependent effects on the deformation of the extruded ink. Lastly, we use these scaling arguments to construct a phase diagram for void-free monolith printability.

36 MATERIALS SCIENCE↗

NASA NTRS2009

Computer Code for Nanostructure Simulation

Due to their small size, nanostructures can have stress and thermal gradients that are larger than any macroscopic analogue. These gradients can lead to specific regions that are susceptible to failure via processes such as plastic deformation by dislocation emission, chemical debonding, and interfacial alloying. A program has been developed that rigorously simulates and predicts optoelectronic properties of nanostructures of virtually any geometrical complexity and material composition. It can be used in simulations of energy level structure, wave functions, density of states of spatially configured phonon-coupled electrons, excitons in quantum dots, quantum rings, quantum ring complexes, and more. The code can be used to calculate stress distributions and thermal transport properties for a variety of nanostructures and interfaces, transport and scattering at nanoscale interfaces and surfaces under various stress states, and alloy compositional gradients. The code allows users to perform modeling of charge transport processes through quantum-dot (QD) arrays as functions of inter-dot distance, array order versus disorder, QD orientation, shape, size, and chemical composition for applications in photovoltaics and physical properties of QD-based biochemical sensors. The code can be used to study the hot exciton formation/relation dynamics in arrays of QDs of different shapes and sizes at different temperatures. It also can be used to understand the relation among the deposition parameters and inherent stresses, strain deformation, heat flow, and failure of nanostructures.

Filikhin, Igor↗

DOE OSTI2022

$T\overline{T}$-deformed free energy of the Airy model

Sharpening the correspondence of Jackiw-Teitelboim (JT) gravity and its dual matrix model description at a finite radial cutoff λ through the $T\overline{T}$ deformation is of interest. To proceed, we simplify the problem by considering the Airy model and deform Airy correlators in the same way as in $T\overline{T}$ -deformed JT gravity. We use those correlators to compute the annealed and quenched free energies for both λ > 0 and λ < 0 from an integral representation of the replica trick. At the leading order in λ and low temperatures, we confirm that the genus-zero quenched free energy monotonically decreases as a function of temperature when perturbation theory is valid. We then study the all-genus quenched free energy at low temperatures, where we discover and discuss subtleties due to non-perturbative effects in the Airy model, as well as the contributions from the non-perturbative branch under the $T\overline{T}$ deformation.

2D gravity↗

NASA NTRS2006

Properties of a Ni(sub 19.5)Pd(sub 30)Ti(sub 50.5) high-temperature shape memory alloy in tension and compression

Potential applications involving high-temperature shape memory alloys have been growing in recent years. Even in those cases where promising new alloys have been identified, the knowledge base for such materials contains gaps crucial to their maturation and implementation in actuator and other applications. We begin to address this issue by characterizing the mechanical behavior of a Ni19.5Pd30Ti50.5 high-temperature shape memory alloy in both uniaxial tension and compression at various temperatures. Differences in the isothermal uniaxial deformation behavior were most notable at test temperatures below the martensite finish temperature. The elastic modulus of the material was very dependent on strain level; therefore, dynamic Young#s Modulus was determined as a function of temperature by an impulse excitation technique. More importantly, the performance of a thermally activated actuator material is dependent on the work output of the alloy. Consequently, the strain-temperature response of the Ni19.5Pd30Ti50.5 alloy under various loads was determined in both tension and compression and the specific work output calculated and compared in both loading conditions. It was found that the transformation strain and thus, the specific work output were similar regardless of the loading condition. Also, in both tension and compression, the strain-temperature loops determined under constant load conditions did not close due to the fact that the transformation strain during cooling was always larger than the transformation strain during heating. This was apparently the result of permanent plastic deformation of the martensite phase with each cycle. Consequently, before this alloy can be used under cyclic actuation conditions, modification of the microstructure or composition would be required to increase the resistance of the alloy to plastic deformation by slip.

Noebe, Ronald↗

DOE OSTI2019

ISRM Suggested Method: Determining Deformation and Failure Characteristics of Rocks Subjected to True Triaxial Compression

The purpose of this ISRM Suggested Method is to introduce a guideline on determining deformation and failure characteristics of rocks subjected to true triaxial compression on different stress path. Here, the true triaxial testing apparatus was reviewed by means of the function and engineering application. Some key techniques, such as stress and strain measurements, and reduction of end effect between specimen and metal platens, preventing metal platens interference, were stated and suggested in detail. Methodology of specimen processing, specimen shape, and testing procedure are characterized. There is an explanation of the experimental data processing on stress–strain curves, strength, and fracture mode.

42 ENGINEERING↗

DOE OSTI2022

Study of the deformed halo nucleus 31 Ne with Glauber model based on microscopic self-consistent structures

In this work, the exotic deformed nucleus 31 Ne is studied with an approach that combines self-consistent structure and reaction theories. The deformed relativistic Hartree-Bogoliubov theory in continuum (DRHBc) is utilized to demonstrate that deformation and pairing correlations give rise to a halo structure with a large-amplitude p-wave configuration in 31 Ne. Then the valence nucleon wave functions and angle-averaged density distributions of 30 Ne from this theory are used as input for the Glauber reaction model to study the observables of neutron-rich neon isotopes to search halo signatures. With NL1 effective interaction, our predictions of the reaction cross sections for these exotic neon isotopes on a carbon target can better reproduce the experimental data than those from the relativistic mean field model for a spherical shape with resonances and pairing correlation contributions, and are roughly 3.3% (~ 50 mb) larger than those with Gaussian function-fitted densities of the core nuclei. The calculated one-neutron removal cross section at 240 MeV/nucleon, and the inclusive longitudinal momentum distribution of the 30 Ne residues from the 31Ne breakup reaction are largely improved over previous theoretical predictions and agree well with data. These reaction evaluations indicate a dilute density distribution in coordinate space and are a canonical signature of a halo structure. Moreover, our predictions with the NL3 and PK1 effective interactions give slightly better descriptions of reaction observables for exotic neon isotopes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Chemo-mechanical-microstructural coupling in the tarsus exoskeleton of the scorpion Scorpio palmatus

The multiscale structure of biomaterials enables their exceptional mechanical robustness, yet the impact of each constituent at their relevant length scale remains elusive. Here, we used SAXD analysis to expose the intact chitin-fiber architecture within the exoskeleton on a scorpion's claw, revealing varying orientations, including Bouligand and unidirectional regions different from other arthropod species. We uncovered the contribution of individual components’ constituent behavior to its mechanical properties from the micro- to the nanoscale. At the microscale, in-situ micromechanical experiments were used to determine site-specific stiffness, strength, and failure of the biocomposite due to fiber orientation, while metal-crosslinking of proteins is characterized via fluorescence maps. At the constituent level, combined with FEA simulations, we uncovered the behavior of fiber-matrix deformation with fiber diameter <53.7 nm and protein modulus in the range 1.4–11 MPa. The unveiled microstructure-mechanics relationship sheds light on the evolved structural functionalities and constituents' interactions within the scorpion cuticle.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Learning the temporal evolution of multivariate densities via normalizing flows

In this work, we propose a method to learn multivariate probability distributions using sample path data from stochastic differential equations. Specifically, we consider temporally evolving probability distributions (e.g., those produced by integrating local or nonlocal Fokker–Planck equations). Here, we analyze this evolution through machine learning assisted construction of a time-dependent mapping that takes a reference distribution (say, a Gaussian) to each and every instance of our evolving distribution. If the reference distribution is the initial condition of a Fokker–Planck equation, what we learn is the time-T map of the corresponding solution. Specifically, the learned map is a multivariate normalizing flow that deforms the support of the reference density to the support of each and every density snapshot in time. We demonstrate that this approach can approximate probability density function evolutions in time from observed sampled data for systems driven by both Brownian and Lévy noise. We present examples with two- and three-dimensional, uni- and multimodal distributions to validate the method.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Electrochemical Potential of the Metal Organic Framework MIL-101(Fe) as Cathode Material in Li-Ion Batteries

We discuss the characteristic factors that determine the electrochemical potentials in a metal-organic framework used as cathode for Li-ion batteries via density functional theory-based simulations. Our focus is on MIL-101(Fe) cathode material. Our study gives insight into the role of local atomic environment and structural deformations in generating electrochemical potential.

Keshavarz, Fatemeh↗

NASA NTRS1987

Extension of Kirchhoff's formula to radiation from moving surfaces

Kirchhoff's formula for radiation from a closed surface has been used recently for prediction of the noise of high speed rotors and propellers. Because the closed surface on which the boundary data are prescribed in these cases is in motion, an extension of Kirchhoff's formula to this condition is required. In this paper such a formula, obtained originally by Morgans for the interior problem, is derived for regions exterior to surfaces moving at speeds below the wave propagation speed by making use of some results of generalized function theory. It is shown that the usual Kirchhoff formula is a special case of the main result of the paper. The general result applies to a deformable surface. However, the special form it assumes for a rigid surface in motion is also noted. In addition, Morgans' result is further extended by showing that edge line integrals appear in the formula when applied to a surface that is piecewise smooth. Some possible areas of application of the formula to problems of current interest in aeroacoustics are discussed.

Farassat, F.↗

NASA NTRS1988

Extension of Kirchhoff's formula to radiation from moving surfaces

Farassat, F.↗

NASA NTRS1993

Transverse cracking and stiffness reduction in composite laminates

A study of transverse cracking mechanism in composite laminates is presented using a singular hybrid finite element model. The model provides the global structural response as well as the precise local crack-tip stress fields. An elasticity basis for the problem is established by employing Lekhnitskii's complex variable potentials and method of eigenfunction expansion. Stress singularities associated with the transverse crack are obtained by decomposing the deformation into the symmetric and antisymmetric modes and proper boundary conditions. A singular hybrid element is thereby formulated based on the variational principle of a modified hybrid functional to incorporate local crack singularities. Axial stiffness reduction due to transverse cracking is studied. The results are shown to be in very good agreement with the existing experimental data. Comparison with simple shear lag analysis is also given. The effects of stress intensity factors and strain energy density on the increase of crack density are analyzed. The results reveal that the parameters approach definite limits when crack densities are saturated, an evidence of the existence of characteristic damage state.

Yuan, F. G.↗

NASA NTRS2018

An Efficient Inverse Finite Element Method for Shape and Stress Sensing of Laminated Composite and Sandwich Plates and Shells

The inverse Finite Element Method (iFEM) is a revolutionary methodology for real-time reconstruction of full-field structural displacements and stresses in structures that are instrumented with strain sensors. This inverse problem is commonly referred to as shape and stress sensing, which is well-recognized as an enabling technology for structural health monitoring systems. In this study, an improved iFEM formulation is proposed for shape and stress sensing of laminated composite and sandwich plates and shells. The formulation includes the kinematics of a shear deformation plate theory known as Refined Zigzag Theory (RZT) as its baseline. The present iFEM formulation is based upon the minimization of a weighted-least-squares functional that uses the complete set of section strains of RZT. The improved iFEM methodology is applicable for shape and stress sensing of thin and moderately thick plate and shell structures involving a relatively small number of strain gauges. The main advantage of the current formulation is that highly accurate through-the-thickness distributions of displacements, strains, and stresses are attainable using an element based on simple C0-continuous displacement interpolation functions. A three-node inverseshell element, named i3-RZT, is developed. Two example problems are examined in detail: (1) a simply supported rectangular laminated composite plate and (2) a wedge structure with a hole near one of the clamped ends. For both problems, the experimental strain data are generated numerically by the direct finite element analysis using high-fidelity discretizations. These strains are then regarded as the experimental strains obtained from surface mounted strain gauges or embedded fiber Bragg grating (FBG) sensors. The numerical results demonstrate the superior capability and potential applicability of the i3- RZT/iFEM methodology for performing accurate shape and stress sensing of complex composite structures.

Kefal, Adnan↗

DOE OSTI2020

Strain rate sensitivity, microstructure variations, and stress-assisted β → α" phase transformation investigation on the mechanical behavior of dual-phase titanium alloys

In this study, the microstructures of three widely used dual-phase titanium alloys: Ti-6Al-4V, Ti-6Al-2Sn-4Zr-2Mo, and Ti-6Al-2Sn-4Zr-6Mo are characterized using backscatter electron imaging and the deformation behaviors in their individual α and β phases are investigated using in situ high-energy X-ray diffraction during uniaxial tension experiments. This is accompanied by calculation of the strain rate sensitivity (SRS) in these alloys, as a function of applied loading. The results of the calculated SRS and the mechanical response (in terms of lattice strains and hardening behaviors) are rationalized based on the local microstructure, composition, and texture of the alloy. A stress-induced β (BCC) to α" (orthorhombic) phase transformation is observed during the in-situ diffraction experiment, which permitted analysis of the lattice strain evolution during the phase transformation. Results from this study provide insights into the relationship between microstructure, composition, applied loading, and the deformation behavior, including effects on loading with time holds. Specifically, the results show that the microstructure, and not necessarily the chemical composition (Mo content), along with the applied loading have a dominant role in the observed SRS variation in titanium alloys. Further, the evolution of the α" (orthorhombic) phase is observed for the first time during deformation of an industrially relevant titanium alloy, Ti-6246.

36 MATERIALS SCIENCE↗

NASA NTRS2004

Particulate Titanium Matrix Composites Tested--Show Promise for Space Propulsion Applications

Uniformly distributed particle-strengthened titanium matrix composites (TMCs) can be manufactured at lower cost than many types of continuous-fiber composites. The innovative manufacturing technology combines cold and hot isostatic pressing procedures to produce near-final-shape components. Material stiffness is increased up to 26-percent greater than that of components made with conventional titanium materials at no significant increase in the weight. The improved mechanical performance and low-cost manufacturing capability motivated an independent review to assess the improved properties of ceramic titanium carbide (TiC) particulate-reinforced titanium at elevated temperature. Researchers at the NASA Glenn Research Center creatively designed and executed deformation and durability tests to reveal operating regimes where these materials could lower the cost and weight of space propulsion systems. The program compares the elevated-temperature performance of titanium alloy Ti-6Al-4V matrix material to an alloy containing 10 wt% of TiC particles. Initial experiments showed that at these relatively low particle concentrations the material stiffness of the TMC was improved 20 percent over that of the plain Ti-6Al-4V alloy when tested at 427 C. The proportional limit and ultimate strength of the composite in tension are 21- and 14-percent greater than those of the plain alloy. Compression tests showed that the proportional limit is about 30 percent greater for TMC than for the plain alloy. The enhanced deformation resistance of the TMC was also evident in a series of tensile and compressive stress relaxation tests that were made. Specimens were subjected to tensile or compressive strain amplitudes of 0.75 percent for 24 hr followed by a return to zero strain imposed for 24 hr. The stress relaxation data were normalized with respect to the maximum stress for each case and plotted as a function of time in the following graph. Tensile stresses relaxed 19 percent for the TMC and 25 percent for the plain Ti-6Al-4V alloy. Compressive stresses relaxed 25 percent for the TMC and 39 percent for the plain Ti-6Al-4V alloy. The superior deformation resistance of the TMC extends to a creep rate that is 28-percent slower for the TMC when it is loaded to stress levels that are 26-percent higher than for the plain Ti-6Al-4V alloy.

Lerch, Bradley A.↗

DOE OSTI2023

An adjoint-based optimization method for jointly inverting heterogeneous material properties and fault slip from earthquake surface deformation data

SUMMARY Analysis of tectonic and earthquake-cycle associated deformation of the crust can provide valuable insights into the underlying deformation processes including fault slip. How those processes are expressed at the surface depends on the lateral and depth variations of rock properties. The effect of such variations is often tested by forward models based on a priori geological or geophysical information. Here, we first develop a novel technique based on an open-source finite-element computational framework to invert geodetic constraints directly for heterogeneous media properties. We focus on the elastic, coseismic problem and seek to constrain variations in shear modulus and Poisson’s ratio, proxies for the effects of lithology and/or temperature and porous flow, respectively. The corresponding nonlinear inversion is implemented using adjoint-based optimization that efficiently reduces the cost function that includes the misfit between the calculated and observed displacements and a penalty term. We then extend our theoretical and numerical framework to simultaneously infer both heterogeneous Earth’s structure and fault slip from surface deformation. Based on a range of 2-D synthetic cases, we find that both model parameters can be satisfactorily estimated for the megathrust setting-inspired test problems considered. Within limits, this is the case even in the presence of noise and if the fault geometry is not perfectly known. Our method lays the foundation for a future reassessment of the information contained in increasingly data-rich settings, for example, geodetic GNSS constraints for large earthquakes such as the 2011 Tohoku-oki M9 event, or distributed deformation along plate boundaries as constrained from InSAR.

Geochemistry & Geophysics↗

NASA NTRS2019

Static Torsion Testing and Modeling of a Variable Thickness Hybrid Composite Bull Gear

Torsional strength of a variable thickness hybrid gear web was measured by performing static testing on the part in a large torsion test frame. The outer rim of the hybrid gear web was fixed to the bottom of the test frame and loading was applied to the web through a shaft. The test setup included the installation of digital image correlation (DIC) systems to obtain deformation and strain measurements from the surfaces of the hybrid gear web and the mechanical test equipment to ensure reliability of the test. The results indicated that the variable thickness hybrid gear web achieved approximately twice the torsional strength compared to that of previous hybrid gear designs. The DIC analysis showed significantly more straining of the loading shaft than the actual test article. Additionally, the results demonstrated the importance and affect that the metallic, lobed interlock features had on the principal strain and out-of-plane displacement fields. The analysis revealed that the fixed outer rim was in fact rotating and a rigid body motion compensation (RBMC) function was computed to determine the actual rotation of the hub and composite web relative to the outer rim. Modeling simulations were performed for the variable thickness hybrid gear web and correlated well with the RBMC rotational deformation seen in the DIC analysis. In addition to benchmarking the load capacity of the hybrid gear web, measuring its strength is useful information to define the parameters needed for dynamic, endurance, and other testing of the part.

Johnston, Joel P.↗

DOE OSTI2020

Curvature-slope correlation of nuclear symmetry energy and its imprints on the crust-core transition, radius, and tidal deformability of canonical neutron stars

Background: The nuclear symmetry energy E sym (ρ) encodes information about the energy necessary to make nuclear systems more neutron-rich. While its slope parameter L at the saturation density ρ 0 of nuclear matter has been relatively well constrained by recent astrophysical observations and terrestrial nuclear experiments, its curvature K sym characterizing the E sym (ρ) around 2ρ 0 remains largely unconstrained. Over 520 calculations for E sym (ρ) using various nuclear theories and interactions in the literature have predicted several significantly different K sym –L correlations. Purpose: If a unique K sym –L correlation of E sym (ρ) can be firmly established, it will enable us to progressively better constrain the high-density behavior of E sym (ρ) using the available constraints on its slope parameter L. Here, we investigate if and by how much the different K sym –L correlations may affect neutron star observables. Method: A meta-model of nuclear Equation of States (EOSs) with three representative K sym –L correlation functions is used to generate multiple EOSs for neutron stars. We then examine effects of the K sym –L correlation on the crust-core transition density and pressure as well as the radius and tidal deformation of canonical neutron stars. Results: The K sym –L correlation affects significantly both the crust-core transition density and pressure. It also has strong imprints on the radius and tidal deformability of canonical neutron stars especially at small L values. The available data from LIGO/VIRGO and NICER set some useful limits for the slope L but can not distinguish the three representative K sym –L correlations considered.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗