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At least 523 records · Page 29

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DOE OSTI2022

Creep anisotropy modeling and uncertainty quantification of an additively manufactured Ni-based superalloy

The advantages offered by additive manufacturing over traditional processes has driven a great deal of industrial and academic interest in recent years. However, the process is relatively new and requires additional investigation to become sufficiently mature for wide scale industrial adoption. Electron beam melting powder bed fusion is one technology that has shown promise for fabricating high temperature resistant materials such as nickel based superalloys. The resulting microstructures typically exhibit a strong fiber texture in the build direction giving rise to anisotropic time-dependent deformation behavior. In order to accelerate the qualification of these materials for industrial adoption accurate numerical models are needed for simulating their behavior. In this work a crystal plasticity model including non-Schmid effects is presented for capturing creep anisotropy observed in additively manufactured IN738LC. The model is calibrated via a probabilistic framework where model parameters are treated as random variables. An iterative sequential design strategy is utilized to efficiently identify the probability density of the unknown model parameters. As a case study the model is utilized to investigate the behavior of randomly oriented equiaxed grain clusters sometimes observed embedded in the additively manufactured columnar structure. A synthetic realization is simulated and uncertainty is propagated through to the full-field response. Results indicate that these features are the source of significant creep relaxation and strain accumulation which partially explains observed grain boundary decohesion at these locations.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Origin of Phase Separation in Ni-Rich Layered Oxide Cathode Materials During Electrochemical Cycling

In intercalation materials, the kinetics and uniformity of mass transport across the nanocrystalline domains dictate the structural reversibility and transport capability at the macroscopic level. (De)intercalation-induced interlayer disintegrations exhibit anisotropic crystallite size change. Due to the anisotropic mass transport mechanism, separated phases are inherently crystallographically oriented. One such material is LiNi $1–x–y$ Mn $x$ Co $y$ O 2 , which plays a pivotal role in advanced Li-ion batteries but suffers from severe phase inhomogeneities under fast charge or electrochemical aging. Here, using operando synchrotron techniques, we probe the mechanistic origins of the compositional and orientational-dependent phase separations during the electrochemical cycling of LiNi 0.8 Mn 0.1 Co 0.1 O 2 by comprehensive analysis of both in-plane and out-of-plane reflections. In the H2/H3 phase regime, in-plane domain propagation occurs due to increased covalency despite the severe decay of interlayer crystallographic order, resulting in the change of crystalline domain shape from 3D spheres to two-dimensional nanosheets. The crystallographically selective XRD line splitting is linked to the geometry of the facets as mass transfers along the ab plane. In conclusion, this work provides mechanistic insights into crystallographic orientation-dependent phase inhomogeneity under fast charge and extended cycling.

36 MATERIALS SCIENCE↗

NASA NTRS1985

Orthotropic fracture using a singular isoparametric element

The six noded quarter point natural isoparametric triangular element is employed to obtain displacement and stress distributions in the vicinity of the crack tip in a center cracked tensile coupon of unidirectional graphite epoxy. The material is considered to be homogeneous, elastic and orthotropic. The finite element results are compared to the analytical solution of anisotropic elasticity. Convergence as a function of mesh parameters is studied for isotropic and orthotropic materials. It is shown that displacements converge faster than stresses and that meshes which are convergent for isotropic and orthotropic materials. It is shown that displacements converge faster than stresses and that meshes which are convergent for isotropic materials are not completely convergent for the highly orthotropic graphite epoxy.

Gregory, M. A.↗

DOE OSTI2021

Chiral Spin Textures in Amorphous Iron–Germanium Thick Films

Topological solitary fields, such as magnetic and polar skyrmions, are envisioned to revolutionize microelectronics. These configurations have been stabilized in solid-state materials with a global inversion symmetry breaking, which translates in magnetic materials into a vector spin exchange known as the Dzyaloshinskii-Moriya interaction (DMI), as well as spin chirality selection and isotropic solitons. This work reports experimental evidence of 3D chiral spin textures, such as helical spins and skyrmions with different chirality and topological charge, stabilized in amorphous Fe-Ge thick films. Overall, these results demonstrate that structurally and chemically disordered materials with a random DMI can resemble inversion symmetry broken systems with similar magnetic properties, moments, and states. Disordered systems are distinguished from systems with global inversion symmetry breaking by their degenerate spin chirality that allows for forming isotropic and anisotropic topological spin textures at remanence, while offering greater flexibility in materials synthesis, voltage, and strain manipulation.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Tunable analog thermal material

Naturally-occurring thermal materials usually possess specific thermal conductivity ($\textit{κ}$), forming a digital set of $\textit{κ}$ values. Emerging thermal metamaterials have been deployed to realize effective thermal conductivities unattainable in natural materials. However, the effective thermal conductivities of such mixing-based thermal metamaterials are still in digital fashion, i.e., the effective conductivity remains discrete and static. Here, we report an analog thermal material whose effective conductivity can be in-situ tuned from near-zero to near-infinity $\textit{κ}$. The proof-of-concept scheme consists of a spinning core made of uncured polydimethylsiloxane (PDMS) and fixed bilayer rings made of silicone grease and steel. Thanks to the spinning PDMS and its induced convective effects, we can mold the heat flow robustly with continuously changing and anisotropic $\textit{κ}$. Our work enables a single functional thermal material to meet the challenging demands of flexible thermal manipulation. It also provides platforms to investigate heat transfer in systems with moving components.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Magnetic Materials: Chiral Spin Textures in Amorphous Iron–Germanium Thick Films (Adv. Mater. 8/2021)

Topological solitary fields, such as magnetic and polar skyrmions, are envisioned to revolutionize microelectronics. These configurations have been stabilized in solid-state materials with a global inversion symmetry breaking, which translates in magnetic materials into a vector spin exchange known as the Dzyaloshinskii–Moriya interaction (DMI), as well as spin chirality selection and isotropic solitons. This work reports experimental evidence of 3D chiral spin textures, such as helical spins and skyrmions with different chirality and topological charge, stabilized in amorphous Fe–Ge thick films. These results demonstrate that structurally and chemically disordered materials with a random DMI can resemble inversion symmetry broken systems with similar magnetic properties, moments, and states. In conclusion, disordered systems are distinguished from systems with global inversion symmetry breaking by their degenerate spin chirality that allows for forming isotropic and anisotropic topological spin textures at remanence, while offering greater flexibility in materials synthesis, voltage, and strain manipulation.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Self-Organized Stress Distributions in Polycrystalline Materials [Dissertation]

Understanding stress distributions in solid materials is complicated by the fact that most materials are polycrystalline in nature, with each crystal having an elastically anisotropic reaction to force. This study is to gain a better understanding on how external forces placed on a polycrystal are related to internal reactions within and between the grains. The hypothesis is that the stress distribution in porous to fully dense materials are self-organized based on strong contacts between and within the individual grains created by force chains. Force chains, commonly known in loaded granular materials, and could be the phenomenon that connect micro to macro deformation. Scale bridging measurements conducted through Raman spectroscopy, Atomic Force Microscopy, and Digital Image Correlation will be used to create stress maps, modulus maps, and elastic strain maps across a variety of geological and pharmaceutical polycrystals. When possible, the resulting maps will be compared to current homogenization schemes and a full field models. Finite element modeling will be used to assess whether the patterning seen in the experimental map is a reasonable approximation based on the orientation data of the samples used. A minimum of three publications is projected to be accomplished focusing each on a different method to experimentally test and analyze stress distributions.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Rethinking 𝛼−RuCl 3 : Parameters, models, and phase diagram

RuCl 3 was likely the first ever deliberately synthesized ruthenium compound, following the discovery of the 44 Ru element in 1844. For a long time it was known as an oxidation catalyst, with its physical properties being discrepant and confusing, until a decade ago when its allotropic form 𝛼−RuCl 3 rose to exceptional prominence. This “rediscovery” of 𝛼−RuCl 3 has not only reshaped the hunt for a material manifestation of the Kitaev spin liquid, but it has opened the floodgates of theoretical and experimental research in the many unusual phases and excitations that the anisotropic-exchange magnets as a class of compounds have to offer. Given its importance for the field of Kitaev materials, it is astonishing that the low-energy spin model that describes this compound and its possible proximity to the much-desired spin-liquid state is still a subject of significant debate ten years later. In the present study, we argue that the existing key phenomenological observations put strong natural constraints on the effective microscopic spin model of 𝛼−RuCl 3 , and specifically on its spin-orbit-induced anisotropic-exchange parameters that are responsible for the nontrivial physical properties of this material. These constraints allow one to focus on the relevant region of the multidimensional phase diagram of the 𝛼−RuCl 3 model, suggest an intuitive description of it via a different parametrization of the exchange matrix, offer a unifying view on the earlier assessments of its parameters, and bring closer together several approaches to the derivation of anisotropic-exchange models. We explore extended phase diagrams relevant to the 𝛼−RuCl 3 parameter space using quasiclassical, Luttinger-Tisza, exact diagonalization, and density-matrix renormalization-group methods, demonstrating a remarkably close quantitative accord between them on the general structure and hierarchy of the phases, with the zigzag, ferromagnetic, and incommensurate phases that are proximate to each other. As a result, one of the highlights is the detailed agreement on the nature of the incommensurate phases that realize two distinct counterrotating helical states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1986

Model-size reduction for the buckling and vibration analyses of anisotropic panels

A computational procedure is presented for reducing the size of the model used in the buckling and vibration analyses of symmetric anisotropic panels to that of the corresponding orthotropic model. The key elements of the procedure are the application of an operator splitting technique through the decomposition of the material stiffness matrix of the panel into the sum of orthotropic and nonorthotropic (anisotropic) parts and the use of a reduction method through successive application of the finite element method and the classical Rayleigh-Ritz technique. The effectiveness of the procedure is demonstrated by numerical examples.

Noor, A. K.↗

DOE OSTI2023

Using micro-XRF to characterize chloride ingress through cold joints in 3D printed concrete

Digital fabrication methods with concrete have been rapidly developing, with many problems related to component production and material control being solved in recent years. These processes produce inherently layered cementitious components that are anisotropic, and in many cases, produces a weak interface between layers, which are generally referred to as cold joints. While material strength at these interfaces has been well studied in recent years, durability has received less attention, even though cold joints can function as channels for aggressive agents, such as chlorides. This work presents a method using micro-X-ray fluorescence (μXRF) to image chloride ingress into layer interfaces of 3D printed fine-grained concrete specimens produced with varying layer deposition time intervals, and also compares it to neutron imaging of moisture uptake. The results show that cold joints formed after a 1 day time interval are highly susceptible to chloride ingress, and that curing conditions play a major role in how quickly interfacial transport can take place. The μXRF method is also shown to be useful for study of transport of chlorides in cold joints, due to its spatial resolution and direct analysis of an aggressive species of interest.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Unraveling Anisotropic and Pulsating Etching of ZnO Nanorods in Hydrochloric Acid via Correlative Electron Microscopy

Despite much technical progress achieved so far, the exact surface and shape evolution during wet chemical etching is less unraveled, especially in ionically bonded ceramics. Herein, by using in situ liquid cell transmission electron microscopy, a repeated two-stage anisotropic and pulsating periodic etching dynamic is discovered during the pencil shape evolution of a single crystal ZnO nanorod in aqueous hydrochloric acid. Specifically, the nanopencil tip shrinks at a slower rate along [0001̅] than that along the $\langle$101̅0$\rangle$ directions, resulting in a sharper ZnO pencil tip. Afterward, rapid tip dissolution happens due to accelerated etching rates along various crystal directions. Concurrently, the vicinal base region of the original nanopencil tip emerges as a new tip followed by the repeated sequence of tip shrinking and removal. The high-index surfaces, such as {101̅m} (m = 0, 1, 2, or 3) and {21̅1̅n} (n = 0, 1, 2, or 3), are found to preferentially expose in different ratios. Our 3D electron tomography, convergent beam electron diffraction, middle-angle bright-field STEM, and XPS results indicate the dissociative Cl – species were bound to the Zn-terminated tip surfaces. Furthermore, DFT calculation suggests the preferential Cl – passivation over the {101̅1} and (0001) surfaces of lower energy than others, leading to preferential surface exposures and the oscillatory variation of different facet etching rates. The boosted reactivity due to high-index nanoscale surface exposures is confirmed by comparatively enhanced chemical sensing and CO 2 hydrogenation activity. In conclusion, these findings provide an in-depth understanding of anisotropic wet chemical etching of ionic nanocrystals and offer a design strategy for advanced functional materials.

36 MATERIALS SCIENCE↗

NASA NTRS1984

Buckling of a sublaminate in a quasi-isotropic composite laminate

The buckling of an elliptic delamination embedded near the surface of a thick quasi-isotropic laminate was predicted. The thickness of the delaminated ply group (the sublaminate) was assumed to be small compared to the total laminate thickness. Finite-element and Rayleigh-Ritz methods were used for the analyses. The Rayleigh-Ritz method was found to be simple, inexpensive, and accurate, except for highly anisotropic delaminated regions. Effects of delamination shape and orientation, material anisotropy, and layup on buckling strains were examined. Results show that: (1) the stress state around the delaminated region is biaxial, which may lead to buckling when the laminate is loaded in tension; (2) buckling strains for multi-directional fiber sublaminates generally are bounded by those for the 0 deg and 90 deg unidirectional sublaminates; and (3) the direction of elongation of the sublaminate that has the lowest buckling strain correlates with the delamination growth direction.

Shivakumar, K. N.↗

NASA NTRS1985

Buckling of a sublaminate in a quasi-isotropic composite laminate

Shivakumar, K. N.↗

NASA NTRS1990

Modeling and analysis of the space shuttle nose-gear tire with semianalytic finite elements

A computational procedure is presented for the geometrically nonlinear analysis of aircraft tires. The Space Shuttle Orbiter nose gear tire was modeled by using a two-dimensional laminated anisotropic shell theory with the effects of variation in material and geometric parameters included. The four key elements of the procedure are: (1) semianalytic finite elements in which the shell variables are represented by Fourier series in the circumferential direction and piecewise polynominals in the meridional direction; (2) a mixed formulation with the fundamental unknowns consisting of strain parameters, stress-resultant parameters, and generalized displacements; (3) multilevel operator splitting to effect successive simplifications, and to uncouple the equations associated with different Fourier harmonics; and (4) multilevel iterative procedures and reduction techniques to generate the response of the shell. Numerical results of the Space Shuttle Orbiter nose gear tire model are compared with experimental measurements of the tire subjected to inflation loading.

Kim, Kyun O.↗

NASA NTRS1990

Analysis of aircraft tires via semianalytic finite elements

A computational procedure is presented for the geometrically nonlinear analysis of aircraft tires. The tire was modeled by using a two-dimensional laminated anisotropic shell theory with the effects of variation in material and geometric parameters included. The four key elements of the procedure are: (1) semianalytic finite elements in which the shell variables are represented by Fourier series in the circumferential direction and piecewise polynomials in the meridional direction; (2) a mixed formulation with the fundamental unknowns consisting of strain parameters, stress-resultant parameters, and generalized displacements; (3) multilevel operator splitting to effect successive simplifications, and to uncouple the equations associated with different Fourier harmonics; and (4) multilevel iterative procedures and reduction techniques to generate the response of the shell.

Noor, Ahmed K.↗

NASA NTRS1989

Frictionless contact of aircraft tires

A computational procedure for the solution of frictionless contact problems of spacecraft tires was developed using a two-dimensional laminated anisotropic shell theory incorporating the effects of variations in material and geometric parameters, transverse shear deformation, and geometric nonlinearities to model the nose-gear tire of a space shuttle. Numerical results are presented for the case when the nose-gear tire is subjected to inflation pressure and pressed against a rigid pavement. The results are compared with experimental results obtained at NASA Langley, demonstrating a high accuracy of the model and the effectiveness of the computational procedure.

Kim, Kyun O.↗

NASA NTRS1992

Reduced basis technique for evaluating the sensitivity coefficients of the nonlinear tire response

An efficient reduced-basis technique is proposed for calculating the sensitivity of nonlinear tire response to variations in the design variables. The tire is modeled using a 2-D, moderate rotation, laminated anisotropic shell theory, including the effects of variation in material and geometric parameters. The vector of structural response and its first-order and second-order sensitivity coefficients are each expressed as a linear combination of a small number of basis vectors. The effectiveness of the basis vectors used in approximating the sensitivity coefficients is demonstrated by a numerical example involving the Space Shuttle nose-gear tire, which is subjected to uniform inflation pressure.

Noor, Ahmed K.↗

NASA NTRSDate not supplied

Porous Microstructure Analysis (PuMA) software

- Motivation and objectives - Overview of PuMA - Open-source release - Material properties computation - Artificial geometry generation - Property homogenization for anisotropic media - Fiber orientation - Conductivity - Elasticity - Permeability

homogenization↗