Matching Items (3)
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- All Subjects: Elastomers
- Creators: Oswald, Jay
- Resource Type: Text
- Status: Published
Description
Improved knowledge connecting the chemistry, structure, and properties of polymers is necessary to develop advanced materials in a materials-by-design approach. Molecular dynamics (MD) simulations can provide tremendous insight into how the fine details of chemistry, molecular architecture, and microstructure affect many physical properties; however, they face well-known restrictions in their applicable temporal and spatial scales. These limitations have motivated the development of computationally-efficient, coarse-grained methods to investigate how microstructural details affect thermophysical properties. In this dissertation, I summarize my research work in structure-based coarse-graining methods to establish the link between molecular-scale structure and macroscopic properties of two different polymers. Systematically coarse-grained models were developed to study the viscoelastic stress response of polyurea, a copolymer that segregates into rigid and viscous phases, at time scales characteristic of blast and impact loading. With the application of appropriate scaling parameters, the coarse-grained models can predict viscoelastic properties with a speed up of 5-6 orders of magnitude relative to the atomistic MD models. Coarse-grained models of polyethylene were also created to investigate the thermomechanical material response under shock loading. As structure-based coarse-grained methods are generally not transferable to states different from which they were calibrated at, their applicability for modeling non-equilibrium processes such as shock and impact is highly limited. To address this problem, a new model is developed that incorporates many-body interactions and is calibrated across a range of different thermodynamic states using a least square minimization scheme. The new model is validated by comparing shock Hugoniot properties with atomistic and experimental data for polyethylene. Lastly, a high fidelity coarse-grained model of polyethylene was constructed that reproduces the joint-probability distributions of structural variables such as the distributions of bond lengths and bond angles between sequential coarse-grained sites along polymer chains. This new model accurately represents the structure of both the amorphous and crystal phases of polyethylene and enabling investigation of how polymer processing such as cold-drawing and bulk crystallization affect material structure at significantly larger time and length scales than traditional molecular simulations.
ContributorsAgrawal, Vipin (Author) / Oswald, Jay (Thesis advisor) / Peralta, Pedro (Committee member) / Chamberlin, Ralph (Committee member) / Solanki, Kiran (Committee member) / Jiao, Yang (Committee member) / Arizona State University (Publisher)
Created2016
Description
Finite element simulations modeling the hydrodynamic impact loads subjected to an elastomeric coating were performed to develop an understanding of the performance and failure mechanisms of protective coatings for cavitating environments.
In this work, two major accomplishments were achieved: 1) scaling laws were developed from hydrodynamic principles and numerical simulations to allow conversion of measured distributions of pressure peaks in a cavitating flow to distributions of microscopic impact loadings modeling individual bubble collapse events, and 2) a finite strain, thermo-mechanical material model for polyurea-based elastomers was developed using a logarithmic rate formulation and implemented into an explicit finite element code.
Combining the distribution of microscopic impact loads and finite element modeling, a semi-quantitative predictive framework is created to calculate the energy dissipation within the coating which can further the understanding of temperature induced coating failures.
The influence of coating thickness and elastomer rheology on the dissipation of impact energies experienced in cavitating flows has also been explored.
The logarithmic formulation has many desired features for the polyurea constitutive model, such as objectivity, integrability, and additive decomposition compatibility.
A review and discussion on the kinematics in large deformation, including a comparison between Lagrangian and Eulerian descriptions, are presented to explain the issues in building rate-dependent constitutive models in finite strains.
When comparing the logarithmic rate with other conventional rates in test examples, the logarithmic rate shows a better conservation of objectivity and integrability.
The modeling framework was validated by comparing predictions against temperatures measured within coatings subjected to a cavitating jet.
Both the experiments and models show that the temperatures generated, even under mild flow conditions, raise the coating temperature by a significant amount, suggesting that the failure of these coatings under more aggressive flows is thermally induced.
The models show that thin polyurea coatings synthesized with shorter molecular weight soft segments dissipate significantly less energy per impact and conduct heat more efficiently.
This work represents an important step toward understanding thermally induced failure in elastomers subjected to cavitating flows, which provides a foundation for design and optimization of coatings with enhanced erosion resistance.
In this work, two major accomplishments were achieved: 1) scaling laws were developed from hydrodynamic principles and numerical simulations to allow conversion of measured distributions of pressure peaks in a cavitating flow to distributions of microscopic impact loadings modeling individual bubble collapse events, and 2) a finite strain, thermo-mechanical material model for polyurea-based elastomers was developed using a logarithmic rate formulation and implemented into an explicit finite element code.
Combining the distribution of microscopic impact loads and finite element modeling, a semi-quantitative predictive framework is created to calculate the energy dissipation within the coating which can further the understanding of temperature induced coating failures.
The influence of coating thickness and elastomer rheology on the dissipation of impact energies experienced in cavitating flows has also been explored.
The logarithmic formulation has many desired features for the polyurea constitutive model, such as objectivity, integrability, and additive decomposition compatibility.
A review and discussion on the kinematics in large deformation, including a comparison between Lagrangian and Eulerian descriptions, are presented to explain the issues in building rate-dependent constitutive models in finite strains.
When comparing the logarithmic rate with other conventional rates in test examples, the logarithmic rate shows a better conservation of objectivity and integrability.
The modeling framework was validated by comparing predictions against temperatures measured within coatings subjected to a cavitating jet.
Both the experiments and models show that the temperatures generated, even under mild flow conditions, raise the coating temperature by a significant amount, suggesting that the failure of these coatings under more aggressive flows is thermally induced.
The models show that thin polyurea coatings synthesized with shorter molecular weight soft segments dissipate significantly less energy per impact and conduct heat more efficiently.
This work represents an important step toward understanding thermally induced failure in elastomers subjected to cavitating flows, which provides a foundation for design and optimization of coatings with enhanced erosion resistance.
ContributorsLiao, Xiao (Author) / Oswald, Jay (Thesis advisor) / Liu, Yongming (Committee member) / Jiang, Hanqing (Committee member) / Rajan, Subramaniam D. (Committee member) / Platte, Rodrigo (Committee member) / Arizona State University (Publisher)
Created2016
Description
In real world applications, materials undergo a simultaneous combination of tension, compression, and torsion as a result of high velocity impact. The split Hopkinson pressure bar (SHPB) is an effective tool for analyzing stress-strain response of materials at high strain rates but currently little can be done to produce a synchronized combination of these varying impacts. This research focuses on fabricating a flange which will be mounted on the incident bar of a SHPB and struck perpendicularly by a pneumatically driven striker thus allowing for torsion without interfering with the simultaneous compression or tension. Analytical calculations are done to determine size specifications of the flange to protect against yielding or failure. Based on these results and other design considerations, the flange and a complementary incident bar are created. Timing can then be established such that the waves impact the specimen at the same time causing simultaneous loading of a specimen. This thesis allows research at Arizona State University to individually incorporate all uniaxial deformation modes (tension, compression, and torsion) at high strain rates as well as combining either of the first two modes with torsion. Introduction of torsion will expand the testing capabilities of the SHPB at ASU and allow for more in depth analysis of the mechanical behavior of materials under impact loading. Combining torsion with tension or compression will promote analysis of a material's adherence to the Von Mises failure criterion. This greater understanding of material behavior can be implemented into models and simulations thereby improving the accuracy with which engineers can design new structures.
ContributorsVotroubek, Edward Daniel (Author) / Solanki, Kiran (Thesis director) / Oswald, Jay (Committee member) / Mechanical and Aerospace Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2016-05