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- All Subjects: Mechanical Engineering
- Creators: Jiang, Hanqing
Description
Polyurea is a highly versatile material used in coatings and armor systems to protect against extreme conditions such as ballistic impact, cavitation erosion, and blast loading. However, the relationships between microstructurally-dependent deformation mechanisms and the mechanical properties of polyurea are not yet fully understood, especially under extreme conditions. In this work, multi-scale coarse-grained models are developed to probe molecular dynamics across the wide range of time and length scales that these fundamental deformation mechanisms operate. In the first of these models, a high-resolution coarse-grained model of polyurea is developed, where similar to united-atom models, hydrogen atoms are modeled implicitly. This model was trained using a modified iterative Boltzmann inversion method that dramatically reduces the number of iterations required. Coarse-grained simulations using this model demonstrate that multiblock systems evolve to form a more interconnected hard phase, compared to the more interrupted hard phase composed of distinct ribbon-shaped domains found in diblock systems. Next, a reactive coarse-grained model is developed to simulate the influence of the difference in time scales for step-growth polymerization and phase segregation in polyurea. Analysis of the simulated cured polyurea systems reveals that more rapid reaction rates produce a smaller diameter ligaments in the gyroidal hard phase as well as increased covalent bonding connecting the hard domain ligaments as evidenced by a larger fraction of bridging segments and larger mean radius of gyration of the copolymer chains. The effect that these processing-induced structural variations have on the mechanical properties of the polymer was tested by simulating uniaxial compression, which revealed that the higher degree of hard domain connectivity leads to a 20% increase in the flow stress. A hierarchical multiresolution framework is proposed to fully link coarse-grained molecular simulations across a broader range of time scales, in which a family of coarse-grained models are developed. The models are connected using an incremental reverse–mapping scheme allowing for long time scale dynamics simulated at a highly coarsened resolution to be passed all the way to an atomistic representation.
ContributorsLiu, Minghao (Author) / Oswald, Jay (Thesis advisor) / Muhich, Christopher (Committee member) / Jiang, Hanqing (Committee member) / Peralta, Pedro (Committee member) / Jiao, Yang (Committee member) / Arizona State University (Publisher)
Created2020
Description
The focus of this dissertation is first on understanding the difficulties involved in constructing reduced order models of structures that exhibit a strong nonlinearity/strongly nonlinear events such as snap-through, buckling (local or global), mode switching, symmetry breaking. Next, based on this understanding, it is desired to modify/extend the current Nonlinear Reduced Order Modeling (NLROM) methodology, basis selection and/or identification methodology, to obtain reliable reduced order models of these structures. Focusing on these goals, the work carried out addressed more specifically the following issues:
i) optimization of the basis to capture at best the response in the smallest number of modes,
ii) improved identification of the reduced order model stiffness coefficients,
iii) detection of strongly nonlinear events using NLROM.
For the first issue, an approach was proposed to rotate a limited number of linear modes to become more dominant in the response of the structure. This step was achieved through a proper orthogonal decomposition of the projection on these linear modes of a series of representative nonlinear displacements. This rotation does not expand the modal space but renders that part of the basis more efficient, the identification of stiffness coefficients more reliable, and the selection of dual modes more compact. In fact, a separate approach was also proposed for an independent optimization of the duals. Regarding the second issue, two tuning approaches of the stiffness coefficients were proposed to improve the identification of a limited set of critical coefficients based on independent response data of the structure. Both approaches led to a significant improvement of the static prediction for the clamped-clamped curved beam model. Extensive validations of the NLROMs based on the above novel approaches was carried out by comparisons with full finite element response data. The third issue, the detection of nonlinear events, was finally addressed by building connections between the eigenvalues of the finite element software (Nastran here) and NLROM tangent stiffness matrices and the occurrence of the ‘events’ which is further extended to the assessment of the accuracy with which the NLROM captures the full finite element behavior after the event has occurred.
i) optimization of the basis to capture at best the response in the smallest number of modes,
ii) improved identification of the reduced order model stiffness coefficients,
iii) detection of strongly nonlinear events using NLROM.
For the first issue, an approach was proposed to rotate a limited number of linear modes to become more dominant in the response of the structure. This step was achieved through a proper orthogonal decomposition of the projection on these linear modes of a series of representative nonlinear displacements. This rotation does not expand the modal space but renders that part of the basis more efficient, the identification of stiffness coefficients more reliable, and the selection of dual modes more compact. In fact, a separate approach was also proposed for an independent optimization of the duals. Regarding the second issue, two tuning approaches of the stiffness coefficients were proposed to improve the identification of a limited set of critical coefficients based on independent response data of the structure. Both approaches led to a significant improvement of the static prediction for the clamped-clamped curved beam model. Extensive validations of the NLROMs based on the above novel approaches was carried out by comparisons with full finite element response data. The third issue, the detection of nonlinear events, was finally addressed by building connections between the eigenvalues of the finite element software (Nastran here) and NLROM tangent stiffness matrices and the occurrence of the ‘events’ which is further extended to the assessment of the accuracy with which the NLROM captures the full finite element behavior after the event has occurred.
ContributorsLin, Jinshan (Author) / Mignolet, Marc (Thesis advisor) / Jiang, Hanqing (Committee member) / Oswald, Jay (Committee member) / Spottswood, Stephen (Committee member) / Rajan, Subramaniam D. (Committee member) / Arizona State University (Publisher)
Created2020
Description
Special thermal interface materials are required for connecting devices that operate at high temperatures up to 300°C. Because devices used in power electronics, such as GaN, SiC, and other wide bandgap semiconductors, can reach very high temperatures (beyond 250°C), a high melting point, and high thermal & electrical conductivity are required for the thermal interface material. Traditional solder materials for packaging cannot be used for these applications as they do not meet these requirements. Sintered nano-silver is a good candidate on account of its high thermal and electrical conductivity and very high melting point. The high temperature operating conditions of these devices lead to very high thermomechanical stresses that can adversely affect performance and also lead to failure. A number of these devices are mission critical and, therefore, there is a need for very high reliability. Thus, computational and nondestructive techniques and design methodology are needed to determine, characterize, and design the packages. Actual thermal cycling tests can be very expensive and time consuming. It is difficult to build test vehicles in the lab that are very close to the production level quality and therefore making comparisons or making predictions becomes a very difficult exercise. Virtual testing using a Finite Element Analysis (FEA) technique can serve as a good alternative. In this project, finite element analysis is carried out to help achieve this objective. A baseline linear FEA is performed to determine the nature and magnitude of stresses and strains that occur during the sintering step. A nonlinear coupled thermal and mechanical analysis is conducted for the sintering step to study the behavior more accurately and in greater detail. Damage and fatigue analysis are carried out for multiple thermal cycling conditions. The results are compared with the actual results from a prior study. A process flow chart outlining the FEA modeling process is developed as a template for the future work. A Coffin-Manson type relationship is developed to help determine the accelerated aging conditions and predict life for different service conditions.
ContributorsAmla, Tarun (Author) / Chawla, Nikhilesh (Thesis advisor) / Jiao, Yang (Committee member) / Liu, Yongming (Committee member) / Zhuang, Houlong (Committee member) / Jiang, Hanqing (Committee member) / Arizona State University (Publisher)
Created2020