Surface tension-driven shape-recovery of micro/nanometer-scale surface features in a Pt(57.5)Ni(5.3)Cu(14.7)P(22.5) metallic glass in the supercooled liquid region: A numerical modeling capability

Recent experiments in the literature show that micro/nano-scale features imprinted in a Pt-based metallic glass, Pt57.5Ni5.3Cu14.7P22.5 [Pt subscript 57.5 Ni subscript 5.3 Cu subscript 14.7 P subscript 22.5], using thermoplastic forming at a temperature above its glass transition temperature, may be erased by subsequent annealing at a slightly higher temperature in the supercooled liquid region (Kumar and Schroers, 2008). The mechanism of shape-recovery is believed to be surface tension-driven viscous flow of the metallic glass. We have developed an elastic–viscoplastic constitutive theory for metallic glasses in the supercooled liquid temperature range at low strain rates, and we have used existing experimental data in the literature for Pt57.5Ni5.3Cu14.7P22.5 [Pt subscript 57.5 Ni subscript 5.3 Cu subscript 14.7 P subscript 22.5] (Harmon et al., 2007) to estimate the material parameters appearing in our constitutive equations. We have implemented our constitutive model for the bulk response of the glass in a finite element program, and we have also developed a numerical scheme for calculating surface curvatures and incorporating surface tension effects in finite element simulations. By carrying out full three-dimensional finite-element simulations of the shape-recovery experiments of Kumar and Schroers (2008), and using the independently determined material parameters for the bulk glass, we estimate the surface tension of Pt57.5Ni5.3Cu14.7P22.5 [Pt subscript 57.5 Ni subscript 5.3 Cu subscript 14.7 P subscript 22.5] at the temperature at which the shape-recovery experiments were conducted. Finally, with the material parameters for the underlying elastic–viscoplastic bulk response as well as a value for the surface tension of the Pt-based metallic glass fixed, we validate our simulation capability by comparing predictions from our numerical simulations of shape-recovery experiments of Berkovich nanoindents, against corresponding recent experimental results of Packard et al. (2009) who reported shape-recovery data of nanoindents on the same Pt-based metallic glass.National Science Foundation (U.S.) (Grant CMS-0555614)Singapore-MIT Allianc

A constitutive theory for the mechanical response of amorphous metals at high temperatures spanning the glass transition temperature : application to microscale thermoplastic forming of Zr₄₁.₂Ti₁₃.₈Cu₁₂.₅Ni₁₀Be₂₂.₅

Thesis (S.M.)--Massachusetts Institute of Technology, Dept. of Mechanical Engineering, 2008.Includes bibliographical references.Bulk metallic glasses (BMGs) are a promising emerging engineering material distinguished by their unique mechanical properties and amorphous microstructure. In recent years, an extremely promising microscale processing method for bulk metallic glasses, called thermoplasticforming has emerged. As with any emerging technology, the scientific basis for this process is at present fragmented and limited. As a result their is no generally agreed upon theory to model the large-deformation, elastic-visco-plastic response of amorphous metals in the temperature range relevant to thermoplastic-forming. What is needed is a unified constitutive framework that is capable of capturing the transition from a elastic-visco-plastic solid-like response below the glass transition to a Newtonian fluid-like response above the glass transition. We have developed a finite-deformation constitutive theory aimed to fill this need. The material parameters appearing in the theory have been determined to reproduce the experimentally measured stress-strain response of Zr₄₁.₂Ti₁₃.₈Cu₁₂.₅Ni₁₀Be₂₂.₅ (Vitreloy-1) in a strain rate range of [10-5, 10-1] s-1, and in a temperature range [593, 683] K, which spans the glass transition temperature [nu]9 = 623K of this material. We have implemented our theory in the finite element program ABAQUS/Explicit. The numerical simulation capability of the theory is demonstrated with simulations of micron-scale hot-embossing processes for the manufacture of micro-patterned surfaces.by David Lee Henann.S.M

Aspects of the mechanics of metallic glasses

Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Mechanical Engineering, 2011.Cataloged from PDF version of thesis.Includes bibliographical references (p. 131-139).Metallic glasses are amorphous materials that possess unique mechanical properties, such as high tensile strengths and good fracture toughnesses. Also, since they are amorphous, metallic glasses exhibit a glass transition, and at temperatures above this glass transition, they soften dramatically and are therefore amenable to net-shape thermoplastic forming processes. This combination of superior properties and the ability to precisely form complex geometries makes metallic glasses attractive materials for structural applications. This thesis addresses several issues related to the mechanics of these materials: " Metallic glasses are near-"ideal" isotropic materials. We have conducted numerical experiments - using molecular dynamics simulations - to develop a continuum-level isotropic elastic free energy that accounts for volumetric-deviatoric coupling effects under circumstances involving large volumetric strains. " We have developed a large-deformation, elastic-plastic constitutive theory for metallic glasses that incorporates a cavitation mechanism to describe the onset of "brittle" failure. Using this theory, we have conducted finite element simulations of fracture initiation at notch tips in a representative metallic glass under Mode-I, plane strain, small-scale-yielding conditions. We show that our theory predicts important experimentally-observed, fracture-related phenomena in metallic glasses. " We have developed a large-deformation, elastic-viscoplastic constitutive theory in a temperature range, which spans the glass transition of these materials. The numerical simulation capability based on the theory is used to determine appropriate processing parameters in order to carry out a successful micron-scale hot-embossing operation for the thermoplastic forming of a Zr-based metallic glass tool for the manufacture of polymeric microfluidic devices. * The numerical simulation capability is also used to study surface tension-driven shape recovery of a Pt-based metallic glass and quantitatively determine the surface tension of this material above the glass transition.by David Lee Henann.Ph.D

Small-amplitude acoustics in bulk granular media

We propose and validate a three-dimensional continuum modeling approach that predicts small-amplitude acoustic behavior of dense-packed granular media. The model is obtained through a joint experimental and finite-element study focused on the benchmark example of a vibrated container of grains. Using a three-parameter linear viscoelastic constitutive relation, our continuum model is shown to quantitatively predict the effective mass spectra in this geometry, even as geometric parameters for the environment are varied. Further, the model's predictions for the surface displacement field are validated mode-by-mode against experiment. A primary observation is the importance of the boundary condition between grains and the quasirigid walls.Schlumberger-Doll Research Cente

Modeling tissue-selective cavitation damage

The destructive growth and collapse of cavitation bubbles are used for therapeutic purposes in focused ultrasound procedures and can contribute to tissue damage in traumatic injuries. Histotripsy is a focused ultrasound procedure that relies on controlled cavitation to homogenize soft tissue. Experimental studies of histotripsy cavitation have shown that the extent of ablation in different tissues depends on tissue mechanical properties and waveform parameters. Variable tissue susceptibility to the large stresses, strains, and strain rates developed by cavitation bubbles has been suggested as a basis for localized liver tumor treatments that spare large vessels and bile ducts. However, field quantities developed within microns of cavitation bubbles are too localized and transient to measure in experiments. Previous numerical studies have attempted to circumvent this challenge but made limited use of realistic tissue property data. In this study, numerical simulations are used to calculate stress, strain, and strain rate fields produced by bubble oscillation under histotripsy forcing in a variety of tissues with literature-sourced viscoelastic and acoustic properties. Strain field calculations are then used to predict a theoretical damage radius using tissue ultimate strain data. Simulation results support the hypothesis that differential tissue responses could be used to design tissue--selective treatments. Results agree with studies correlating tissue ultimate fractional strain with resistance to histotripsy ablation and are also consistent with experiments demonstrating smaller lesion size under exposure to higher frequency waveforms. Methods presented in this study provide an approach for modeling tissue--selective cavitation damage in general

Modeling tissue-selective cavitation damage

The destructive growth and collapse of cavitation bubbles are used for therapeutic purposes in focused ultrasound procedures and can contribute to tissue damage in traumatic injuries. Histotripsy is a focused ultrasound procedure that relies on controlled cavitation to homogenize soft tissue. Experimental studies of histotripsy cavitation have shown that the extent of ablation in different tissues depends on tissue mechanical properties and waveform parameters. Variable tissue susceptibility to the large stresses, strains, and strain rates developed by cavitation bubbles has been suggested as a basis for localized liver tumor treatments that spare large vessels and bile ducts. However, field quantities developed within microns of cavitation bubbles are too localized and transient to measure in experiments. Previous numerical studies have attempted to circumvent this challenge but made limited use of realistic tissue property data. In this study, numerical simulations are used to calculate stress, strain, and strain rate fields produced by bubble oscillation under histotripsy forcing in a variety of tissues with literature-sourced viscoelastic and acoustic properties. Strain field calculations are then used to predict a theoretical damage radius using tissue ultimate strain data. Simulation results support the hypothesis that differential tissue responses could be used to design tissue--selective treatments. Results agree with studies correlating tissue ultimate fractional strain with resistance to histotripsy ablation and are also consistent with experiments demonstrating smaller lesion size under exposure to higher frequency waveforms. Methods presented in this study provide an approach for modeling tissue--selective cavitation damage in general