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Statistical, Nonlinear, and Soft Matter Physics Commons™
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Articles 1 - 5 of 5
Full-Text Articles in Statistical, Nonlinear, and Soft Matter Physics
Dependence Of Energy Transfer On Curvature Similarity In Collisions Involving Curved Shock Fronts, Justin Cassell
Dependence Of Energy Transfer On Curvature Similarity In Collisions Involving Curved Shock Fronts, Justin Cassell
Dissertations, Master's Theses and Master's Reports
In high-speed collisions of projectiles, pressure exerted by a resulting shock wave is so high that even solids begin to flow and hydrodynamics becomes relevant. Jetting results from hydrodynamic instability driving the evolution of an interface following shock loading. Our emphasis in this dissertation is mitigation of instabilities via several shocks and, specifically, the transfer of energy from a shock wave to another object. To that end, in 2022 and 2023 while on-site, we adapted Lawrence Livermore National Laboratory (LLNL) to explore the effects of shock front geometry on the transfer of energy during shock collisions via numerous computer simulations. …
Large Cloud Droplets And The Initiation Of Ice By Pressure Fluctuations: Molecular Simulations And Airborne In-Situ Observations, Elise Rosky
Dissertations, Master's Theses and Master's Reports
From the molecular dynamics of water molecules to the global processes that control atmospheric circulation: describing the evolution of atmospheric clouds necessitates physics that spans vast spatial scales. In this work, steps are taken towards connecting the molecular physics of ice-nucleation to the growth and subsequent freezing of cloud droplets in convective cumulus clouds. Motivated by experimental evidence of ice nucleation triggered by agitation and distortion of a water droplet surface, the first study in this dissertation uses molecular dynamics simulations to demonstrate that negative Laplace pressure from a curved water surface leads to heterogeneous ice nucleation at higher temperatures. …
A Surrogate Model Of Molecular Dynamics Simulations For Polar Fluids: Supervised Learning Methods For Molecular Polarization And Unsupervised Methods For Phase Classification, Zackerie W. Hjorth
A Surrogate Model Of Molecular Dynamics Simulations For Polar Fluids: Supervised Learning Methods For Molecular Polarization And Unsupervised Methods For Phase Classification, Zackerie W. Hjorth
Dissertations, Master's Theses and Master's Reports
Molecular Dynamic (MD) simulation is a standard computational tool in soft matter physics. While very powerful, it is computationally expensive, leading to some simulations taking days or even weeks to complete depending on the size of your computer cluster. Finding computationally cheap surrogate models which can learn the output features of MD simulation is therefore highly motivated. In this report I explore the use of deep neural network ensembles as well as support vector machine regressors as surrogate models for MD simulation. From the output of the surrogate models, we can then employ unsupervised learning methods to get insight into …
Machine Learning-Driven Surrogate Models For Electrolytes, Tong Gao
Machine Learning-Driven Surrogate Models For Electrolytes, Tong Gao
Dissertations, Master's Theses and Master's Reports
We have developed a lattice Monte Carlo (MC) simulation based on the diffusion-limited aggregation model that accounts for the effect of the physical properties of ionic liquids (ILs) on lithium dendrite growth. Our simulations show that the size asymmetry between the cation and anion, the dielectric constant, and the volume fraction of ILs are critical factors to significantly suppress the dendrite growth, primarily due to substantial changes in electric-field screening. Specifically, the volume fraction of ILs has the optimal value for dendrite suppression. The present simulation method indicates potential challenges for the model extension to macroscopic systems. Therefore, we also …
The Solvation Energy Of Ions In A Stockmayer Fluid, Cameron John Shock
The Solvation Energy Of Ions In A Stockmayer Fluid, Cameron John Shock
Dissertations, Master's Theses and Master's Reports
The solvation of ions in polar solvents has been a long studied system since the early twentieth century. A common technique to calculate the energy associated with ion solvation is the Born Solvation energy equation. This equation assumes an ion is placed in an incompressible, homogeneous dielectric, which is not necessarily representative of a real system. In this work the Stockmayer Fluid Model is used in a molecular dynamics simulation through the software LAMMPS to check the quantitative correctness of the Born equation. It is also shown how solvation energies of ions placed in polymerized and non-polymerized solvents differ. It …