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Defense_Presentation.tex
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1796 lines (1709 loc) · 60.4 KB
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% Beamer Presentation
% LaTeX Template
% Version 1.0 (10/11/12)
%
% This template has been downloaded from:
% http://www.LaTeXTemplates.com
%
% License:
% CC BY-NC-SA 3.0 (http://creativecommons.org/licenses/by-nc-sa/3.0/)
%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%----------------------------------------------------------------------------------------
% PACKAGES AND THEMES
%----------------------------------------------------------------------------------------
\documentclass{beamer}
\mode<presentation>
% The Beamer class comes with a number of default slide themes
% which change the colors and layouts of slides. Below this is a list
% of all the themes, uncomment each in turn to see what they look like.
%\usetheme{default}
%\usetheme{AnnArbor}
%\usetheme{Antibes}
%\usetheme{Bergen}
%\usetheme{Berkeley}
%\usetheme{Berlin}
%\usetheme{Boadilla}
%\usetheme{CambridgeUS}
%\usetheme{Copenhagen}
%\usetheme{Darmstadt}
%\usetheme{Dresden}
%\usetheme{Frankfurt}
%\usetheme{Goettingen}
%\usetheme{Hannover}
%\usetheme{Ilmenau}
%\usetheme{JuanLesPins}
%\usetheme{Luebeck}
\usetheme{Madrid}
%\usetheme{Malmoe}
%\usetheme{Marburg}
%\usetheme{Montpellier}
%\usetheme{PaloAlto}
%\usetheme{Pittsburgh}
%\usetheme{Rochester}
%\usetheme{Singapore}
%\usetheme{Szeged}
%\usetheme{Warsaw}
% As well as themes, the Beamer class has a number of color themes
% for any slide theme. Uncomment each of these in turn to see how it
% changes the colors of your current slide theme.
%\usecolortheme{albatross}
%\usecolortheme{beaver}
%\usecolortheme{beetle}
%\usecolortheme{crane}
%\usecolortheme{dolphin}
%\usecolortheme{dove}
%\usecolortheme{fly}
%\usecolortheme{lily}
%\usecolortheme{orchid}
%\usecolortheme{rose}
%\usecolortheme{seagull}
%\usecolortheme{seahorse}
%\usecolortheme{whale}
%\usecolortheme{wolverine}
%\setbeamertemplate{footline} % To remove the footer line in all slides uncomment this line
%\setbeamertemplate{footline}[page number] % To replace the footer line in all slides with a simple slide count uncomment this line
%\setbeamertemplate{navigation symbols}{} % To remove the navigation symbols from the bottom of all slides uncomment this line
\usepackage{graphicx} % Allows including images
\usepackage{booktabs} % Allows the use of \toprule, \midrule and \bottomrule in tables
\usepackage{mathtools}
\usepackage{amsmath}
\usepackage{float}
\usepackage[makeroom]{cancel}
\usepackage{bm}
\usepackage[export]{adjustbox}
\usepackage{caption}
\captionsetup[figure]{labelformat=empty}
\usepackage{subcaption}
\usepackage{multicol}
\usepackage{animate}
\definecolor{ao(english)}{rgb}{0.0, 0.5, 0.0}
%----------------------------------------------------------------------------------------
% TITLE PAGE
%----------------------------------------------------------------------------------------
\title[Kinetic Analysis of MCT]{A kinetic analysis of morphing continuum theory
for fluid flows} % %The
%short title appears at the bottom of every slide, the full title is only on
%the title page
\author[Wonnell]{\Large Louis Blais Wonnell} % Your name
\vspace{50mm}
\institute[K-State] % Your institution as it will appear on the bottom of slide,
{\large Major Professor: Dr. James Chen \\
\medskip
\normalsize Department of Mechanical and Nuclear
Engineering, \\ Kansas State University \\ % Your institution for the title page
\medskip
%\textit{lwonnell@ksu.edu} % Your email address
}
\date[PhD Defense]
{\large April 20th,
2018} % Date, can be %changed to a custom date
\begin{document}
\setbeamertemplate{caption}{\raggedright\insertcaption\par}
\begin{frame}
\titlepage % Print the title page as the first slide
\end{frame}
% \begin{frame}
% \frametitle{Compressible Flow Simulations} % Table of contents slide, comment this block out to remove it
% To test the effectiveness of numerical MCT simulations on compressible flow, the
% case of uniform flow over a stationary cylinder will be investigated. The intent
% is to simulate the vortex shedding frequency, through the Strouhal number, as a
% function of the Reynolds number, and compare with experimental data. For this
% verification process, experimental data will come from Roshko's experiments on a
% circular cylinder using the Southern California Co-operative Wind Tunnel
% (CWT)\footnote{Roshko, 1960).\end{frame}
\begin{frame}
\frametitle{Agenda}
\begin{multicols}{2}
\begin{figure}
\includegraphics[width=.57\linewidth]{LiquidCrystals.jpg}
\caption{\tiny (PeerScientist, 2017)}
\end{figure}
\begin{figure}
\includegraphics[width=.6\linewidth]{kineticgases.jpg}
\caption{\tiny (myChemset.com)}
\end{figure}
\end{multicols}
\begin{multicols}{2}
\centering
\begin{itemize}
\small
\item Motivation: Efficient Modeling of Flows with Local Rotation
\item Previous Efforts to Improve Direct Numerical Simulation (DNS)
\item A Multi-scale Approach: Morphing Continuum Theory (MCT)
\item Kinetic Theory and the Physics of MCT
\item Assessing the Equations: Numerical Results of MCT
\item Discussion
\item Conclusion and Future Work
\end{itemize}
\end{multicols}
\end{frame}
%----------------------------------------------------------------------------------------
% PRESENTATION SLIDES
%----------------------------------------------------------------------------------------
%------------------------------------------------
% Sections can be created in order to organize your
%presentation into discrete blocks, all sections and subsections are
%automatically printed in the table of contents as an overview of the talk
%------------------------------------------------
%\subsection{Subsection Example} % A subsection can be created just before a set
%of slides with a common theme to further break down your presentation into
\begin{frame}
\frametitle{Motivation: Efficient Modeling of Flows with Local Rotation}
\begin{multicols}{2}
\begin{figure}
\includegraphics[width=\linewidth]{Hypersonic_Flow_Ivey_2011.png}
% \caption{(Ivey, 2011)}
\caption{\tiny (Ivey et al, 2011)}
\end{figure}
\begin{figure}
\includegraphics[width=\linewidth]{NASAflowcyl.jpg}
% \caption{(NASA, 2015)}
\caption{\tiny (NASA, 2015)}
\end{figure}
\end{multicols}
\end{frame}
\begin{frame}
\frametitle{Previous Approaches to Improve DNS}
\textbf{\Large Direct Numerical Simulation (DNS)}
\begin{multicols}{2}
\begin{itemize}
\item \textbf{Constraint 1}: Number of elements in mesh, $N$, and mesh element
size $h$, must satisfy $Nh > L$, for integral length scale $L$ (i.e. box length)
\pause
\item \textbf{Constraint 2}: Mesh element size $h$ must be smaller than
smallest physical length scale $\eta$
\pause
\item \textbf{Computational cost} rises when $\eta$ is small and $L$ is large
\pause
\item \textit{Atmospheric Turbulence}: $\eta \sim 0.1mm$ while $L \sim
10 km$ $\rightarrow$ \textbf{Large range of eddy scales}
\end{itemize}
\begin{figure}
\includegraphics[width=.55\linewidth]{Atmospheric-Turbulence.jpg}
\caption{\tiny (Shats, 2012) }
\end{figure}
\end{multicols}
\end{frame}
\begin{frame}
\frametitle{Previous Approaches to Improve DNS}
\textbf{\Large Direct Numerical Simulation}
\begin{multicols}{2}
\begin{itemize}
\item \textit{Vortex Flow}: $\eta$ might represent length of vortex core,
$\eta$ not clear due to problem of identifying vortices
\item Real flows are \textbf{multi-scale}, requiring flexibility in numerical approach
\end{itemize}
\begin{figure}
\includegraphics[width=\linewidth]{vortexaneurysm.jpg}
\caption{\tiny (Elster, 2017)}
\end{figure}
\end{multicols}
\end{frame}
\begin{frame}
\frametitle{Previous Approaches to Improve DNS}
\begin{table}[t!]
\begin{tabular}{|| c | c | c ||}
\hline
Method & Approach & Contribution \\ [0.5ex]
\hline\hline
RANS & \scriptsize Average N-S eq's & \scriptsize Distinguishes mean flow from fluctuation\\
\hline
LES & \scriptsize Filter N-S eq's & \scriptsize Reduces cost associated with subgrid modeling\\
\hline
DES & \scriptsize Combines RANS and LES & \scriptsize Keeps more physics at subgrid scales where relevant \\
\hline
\end{tabular}
\end{table}
\begin{figure}
\includegraphics[width=.375\linewidth]{MeshScales.png}
\end{figure}
\end{frame}
\begin{frame}
\frametitle{Previous Approaches to Improve DNS}
\begin{figure}
\includegraphics[width=.9\linewidth]{ModelPyramid.jpg}
\end{figure}
%\end{multicols}
\end{frame}
\begin{frame}
\frametitle{Previous Approaches to Improve DNS}
\Large
Drawbacks
\pause
\begin{itemize}
\item Limits range of parameters for simulation
\item Require \textbf{closure models}
\item Nature of closure models may be \textit{ad-hoc}
\item Models modified when new data emerges
\end{itemize}
\vspace{5mm}
\pause
Desire for a \textbf{multiscale} theory that eases burden of mesh refinement
\end{frame}
\begin{frame}
\Large
Motion and deformation of particles built into fluid picture
\frametitle{A Multi-scale Approach: Morphing Continuum Theory (MCT)}
\begin{multicols}{2}
\begin{figure}
\includegraphics[width=1.1\linewidth]{CoordinatesMCT.jpg}
\end{figure}
\large
\textbf{Vector Relations}
\begin{equation*} %\label{direc1}
%\begin{split}
\centering
{\it x_{k} = x_{k} (X_{K},t)}
\quad
{\it X_{K} = X_{K} (x_{k},t)}
\end{equation*}
\begin{equation*} %\label{direc2}
\centering
{\it \xi_{k} = \chi_{kK}(X_{K},t)\Xi_{K}}
\quad
{\it \Xi_{K} = \bar{\chi}_{Kk}\xi_{k}}
\end{equation*}
\begin{equation*} %\label{direc3}
\centering
{\it K = 1, 2, 3}
\quad
{\it k = 1, 2, 3 }
\end{equation*}
\textbf{Deformation Rates}
\begin{equation*}
a_{kl} = v_{l,k} + \epsilon_{lkm}\omega_{m}
\end{equation*}
\begin{equation*}
b_{kl} = \omega_{k,l}
\end{equation*}
\end{multicols}
\end{frame}
\begin{frame}
\frametitle{A Multi-scale Approach: Morphing Continuum Theory (MCT)}
\centering
\begin{multicols}{2}
%\begin{equation}
\textbf{Continuity}
$$\frac{\partial \rho}{\partial t} + (\rho v_{i})_{,i} = 0$$\\
%\end{equation}
%\begin{equation}
\textbf{Linear Momentum}
$$t_{lk,l} + \rho f_{k} = \rho {\dot{v}}_{ k} $$\\
%\end{equation}
%\begin{equation}
%\end{equation}
\textbf{Angular Momentum}
$$ m_{lk,l} + \epsilon_{kij}t_{ij} + \rho l_{k} = \rho j\dot{\omega}_{ k}$$\\
%\begin{equation}
\textbf{Energy}
$$\rho \dot{e} - t_{kl}a_{kl} - m_{kl}b_{lk} + q_{k,k} - \rho h = 0$$\\
\end{multicols}
\begin{multicols}{2}
\begin{itemize}
\item $t_{lk}$: Cauchy stress
\item $m_{lk}$: Moment stress
\item $j$: Microinertia of particles
\item $a_{bkl}, b_{kl}$: Defomation Rates
\item $q_{k}$: Heat flux
\item $h$: Energy source density
\item $e$: Internal energy density
\end{itemize}
\end{multicols}
%\end{equation}
\end{frame}
\begin{frame}
\frametitle{A Multi-scale Approach: Morphing Continuum Theory (MCT)}
\small
Constitutive equations derived from Clausius-Duhem Inequality for isotropic
fluids. Stress tensors must be frame-indifferent or \textbf{objective}.
\begin{multicols}{2}
\centering
\textbf{\large Cauchy Stress}
\normalsize
$$t_{kl} = -P\delta_{kl} + \lambda tr(a_{mn})\delta_{kl} + (\mu + {\color{blue}\kappa})a_{kl} + \mu a_{lk} $$\\
\textbf{\large Moment Stress}
\normalsize
{\color{violet}$$m_{kl} = \frac{\alpha_{T}}{\theta} \epsilon_{klm} \theta_{,m} + \alpha tr(b_{mn})\delta_{kl} + \beta b_{kl} + \gamma b_{lk} $$}\\
\textbf{\large Heat Flux}
\normalsize
$$q_{k} = \frac{K}{\theta}\theta_{,k} +
{\color{red}\alpha_{T}\epsilon_{klm}\omega_{m,l} } $$\\
\textbf{\large Deformation Rates}
$$ a_{kl} = v_{l,k} + {\color{magenta}\epsilon_{lkm}\omega_{m}}$$
{\color{violet}$$ b_{kl} = \omega_{k,l} $$}
\end{multicols}
\end{frame}
\begin{frame}
\frametitle{A Multi-scale Approach: Morphing Continuum Theory (MCT)}
\small
Now have independent equation governing \textbf{gyration} of
particles. The coefficient $\color{blue} \kappa$ ties particle rotation to
linear momentum equation.
\vfill
\centering
\textbf{Linear Momentum}
\normalsize
$$-P_{,k} + (\lambda + \mu)v_{l,lk} + (\mu + {\color{blue}\kappa})v_{k,ll} + {\color{blue}\kappa\epsilon_{klm}\omega_{l,m}} = \rho\dot{v}_{k}$$ \\
\textbf{\color{violet}Angular Momentum}
\normalsize
$$\it (\alpha + \beta)\omega_{l,lk} + \gamma \omega_{k,ll} +
{\color{blue}\kappa(\overbrace{\epsilon_{klm}v_{l,m} -
2\omega_{k})}^{{\color{black}Absolute \ Rotation}}} = \rho j\dot{\omega}_{k}
$$\\
\pause
\textbf{Energy}
$$({\color{blue}t_{kl}}v_{l})_{,k} + {\color{violet}(m_{kl}\omega_{l})_{,k}} - q_{k,k} + \rho h = \rho{\color{cyan}\dot{E}} $$ \\
\textnormal
where $E = e + \frac{1}{2}(v_{l}v_{l} + {\color{cyan}j\omega_{l}\omega_{l}})$
now contains rotational kinetic energy.
\end{frame}
\begin{frame}
\frametitle {Kinetic Theory and the Physics of MCT}
\Large
New coefficients in MCT are \textbf{mathematical consequences} from C-D
inequality and Axiom of Objectivity \pause $\rightarrow$ No inherent physical
meaning \\
\pause
\vspace{5mm}
In classical theory, kinematic viscosity, $\mu$, often depends on
\textbf{temperature} \pause $\rightarrow$ Kinetic Theory shows this dependence
(Huang, 1987) \\
\vspace{5mm}
\pause
To give new terms in MCT a deeper physical meaning \pause $\rightarrow$ Kinetic
Theory for gases composed of rotating particles
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
\large
\textbf{Basic Approach of Kinetic Theory}
\begin{itemize}
\item Assess the behavior of a fluid by modeling an aggregation of particles
(atoms or molecules)
\item Precise position or motion of any particle is not determined
\item When the number of particles is large enough $\rightarrow$
\textbf{Probability Distribution} models collective behavior of particles
%\item Important to define \textbf{phase space}
\item Distribution reformulated depending on nature of particles
\item Bottom-up approach to obtaining governing equations for fluid motion
\end{itemize}
\pause
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
\textbf{\large Maxwell-Boltzmann Theory}
\begin{multicols}{2}
\begin{figure}
\includegraphics[width=45mm]{Boltzmann.png}
\end{figure}
\small
\centering
(Bhardwaj, 2014)
\begin{itemize}
\item Focused on case of monatomic gases or point particles
\item \textbf{Mean free path} small compared to characteristic length of
system
$\rightarrow$ Reasonably large number of collisions
\item Variables of interest: $x_{i}$, $v_{i}$, $t$
\item Mean velocity $U_{i}$, mean thermal energy $\theta$ and number density
$n$, functions of $x_{i}$ and $t$
\item Boltzmann Transport Equation \pause $\rightarrow$
Euler/Navier-Stokes Equations
\pause
\item Physics behind fluid properties illuminated by kinetic theory
\end{itemize}
\end{multicols}
\Large
% \begin{equation*}
% \color{red} f(\vec{r}, \vec{v}, t) = \frac{n}{(2\pi
% m\theta)^{3/2}}exp(-\frac{m\vert\vec{v}
% - \vec{U}\vert^2}{2\theta})
% \end{equation*}
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
\textbf{\large Fluids with Internal Structure}
\begin{itemize}
\item New variable of interest: $\omega_{i}$ $\rightarrow$ Gyration of inner
structures
\item Total linear momentum includes this gyration: $p_{i} = m(v_{i} +
\epsilon_{ijk}r_{j}\omega_{k}) $
\item Chen accounted for gyration in Boltzmann-Curtiss distribution
(Chen, 2017) $\rightarrow$ Zeroth-order equations matched inviscid
\textbf{Morphing Continuum Theory} (MCT) equations
\pause
\item Boltzmann-Curtiss transport equation
\end{itemize}
\small
\begin{equation*}
(\frac{\partial}{\partial t} + v_{i} \frac{\partial}{\partial x_{i}} +
\frac{M_i}{I}\frac{\partial}{\partial \Phi_i})f =
(\frac{\partial f}{\partial t})_{coll}
\end{equation*}
Here, $\Phi_i$ is the orientation of a particle, $M_i$ is the angular
momentum, and $I$ is the moment inertia. With spherical particles,
$\frac{\partial}{\partial \Phi_i} = 0$, yielding:
\begin{equation*}
(\frac{\partial}{\partial t} + v_{i} \frac{\partial}{\partial x_{i}})f =
(\frac{\partial f}{\partial t})_{coll}
\end{equation*}
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
\begin{multicols}{2}
\begin{figure}
\includegraphics[width=.85\linewidth]{PhaseSpace.png}
\end{figure}
Additional rotation changes dimensionality of the phase space \\
\vspace{5mm}
Number density $$n = \int \int d^3v' d^3\omega' \ f$$
Any integral of a quantity in this phase space will include effects of particle
rotation
\end{multicols}
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
\textbf{Boltzmann-Curtiss Distribution}: Derived from Boltzmann's Principle $S
= kln(W)$ for system of rotating particles (Chen, 2017)
\begin{equation*}
%\label{BoltzmannCurtissSecond}
f^{0}(x_{i}, v_{i}, \omega_{i}, t) = n(\frac{m\sqrt{j}}{2\pi
\theta})^3 exp(-\frac{m(v'_{j}v'_{j} + j\omega'_{p}\omega'_{p})}{2\theta})
\end{equation*}
\small
\begin{multicols}{2}
\begin{itemize}
\item $S$: Total entropy of the system
\item $k$: Boltzmann's constant
\item $W$: Number of microstates consistent with given macrostate
\item $m$: Mass of a particle
\item $n$: Number density of particles
\item $j$: Microinertia of particles
\item $\theta$: Equilibrium thermal energy, $kT$
\item $v'_k$: Fluctuation in translational velocity
\item $\omega'_{k}$: Fluctuation in particle rotation
\end{itemize}
\end{multicols}
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
\textbf{\large Collisional Integral}
\begin{align*}
\label{collisionintegral}
(\frac{\partial f}{\partial t})_{coll} = \int &d^3 v_2 \ d^3\omega_2 \
d^3v_1' \ d^3\omega_1' \ d^3v_2' \ d^3\omega_2' \ \delta^4(P_f -
P_i)\left|T_{fi}\right|^2 \\ &(f_2'f_1' - f_2 f_1)
\end{align*}
\begin{multicols}{2}
\begin{figure}
\includegraphics[width=\linewidth]{BinaryCollision.png}
\end{figure}
\begin{itemize}
\small
\item $P_{f}$: Total Final Momentum
\item $P_{i}$: Total Initial Momentum
\item $T_{fi}$: Transition Matrix
\item Particles 1 and 2 collide in binary collision
\item Unprimed quantities correspond to initial conditions
\item Primed quantities correspond to final conditions
\end{itemize}
\end{multicols}
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
\textbf{\large Conservation Equation}
Let $\chi(x_i, p_i)$ be a conserved quantity in a binary collision whose total
value is preserved before and after the collision, i.e.:
\begin{equation*}
\chi_1 + \chi_2 = \chi_1' + \chi_2'
\end{equation*}
The Boltzmann Equation can be integrated with respect to this conserved
property, yielding:
\begin{equation*}
\frac{\partial }{\partial t} \langle n\chi
\rangle + \frac{\partial}{\partial x_{i}} \langle n
\frac{p_{i}}{m}\chi
\rangle - n \langle \frac{p_{i}}{m}\frac{\partial \chi}{\partial x_{i}}
\rangle = 0
\end{equation*}
where
\begin{equation*}
\langle A \rangle = \frac{1}{n} \int \int A f(x_{i}, v_{i}, \omega_{i}, t)
d^3v' d^3\omega'
\end{equation*}
The RHS, $\langle \frac{\partial f}{\partial t}_{coll} \chi \rangle $, vanishes
due to the symmetry, (Huang, 1987) $$\langle \textbf{p}'_2, \textbf{p}'_1
|T|\textbf{p}_1, \textbf{p}_2\rangle = \langle -\textbf{p}'_2,
-\textbf{p}'_1 |T| -\textbf{p}_1,-\textbf{p}_2\rangle$$
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
\textbf{\large Conservation Laws}\\
\vspace{2mm}
Obtained by letting $\chi$ equal any quantity conserved in the binary
collision, i.e. $\chi_1 + \chi_2 = \chi_1' + \chi_2'$ \\
\begin{align*}
\centering
\small
\label{firstordercont}
&\textbf{Continuity} \ \Big(\chi_1 = m\Big) \nonumber \\
&\frac{\partial }{\partial t}\langle mn
\rangle + \frac{\partial }{\partial x_i}\langle mnv_i
\rangle = 0 \\
\label{firstordermoment}
&\textbf{Linear Momentum} \ \Big(\chi_2 = m(v_i +
\epsilon_{ipl}r_l\omega_p)\Big) \nonumber \\
&\frac{\partial}{\partial t}\langle mn v_i
\rangle + \frac{\partial }{\partial t}\langle mn
\epsilon_{ipl}r_{l}\omega_{p}
\rangle + \frac{\partial}{\partial x_{l}}\langle mn v_iv_l
\rangle +
\\ &\frac{\partial }{\partial x_s}\langle mn\epsilon_{ipl} v_s r_{l}\omega_{p}
\rangle = 0
\nonumber \\
\end{align*}
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
\textbf{\large Conservation Laws}\\
\begin{align*}
\centering
\label{firstorderangmoment}
&\textbf{Angular Momentum} \ \Big(\chi_3 = mr_ir_p\omega_p \Big) \nonumber \\
&\frac{\partial}{\partial t}\langle mn r_{i}r_{p}\omega_p
\rangle +
\frac{\partial}{\partial x_{l}}\langle mn r_{i}r_{p}\omega_pv_l
\rangle = 0 \\
\label{firstordereenergy}
&\textbf{Energy} \ \Big(\chi_4 = m(e + \frac{1}{2}[v'_lv'_l +
r_pr_q\omega'_p\omega'_q])\Big) \nonumber \\
&\frac{\partial}{\partial t}(mn e) + \frac{\partial}{\partial
x_{i}}(mnev_i) + \frac{\partial}{\partial x_{i}}\frac{1}{2}\langle mn
v'_{l}v'_{l}v'_{i} + r_{p}r_{q}\omega'_{p}\omega'_{q}v'_{i}
\rangle - \\ &
mn\langle v_{i}\frac{\partial e}{\partial x_{i}}
\rangle = 0 \nonumber
\end{align*}
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
Applying the principles $\langle v'\rangle = \langle \omega'\rangle = 0$ and
$\langle \epsilon_{ipl} v_s r_{l}W_{p} \rangle = 0$, assuming no external
torque on the system (Baraff, 1997). Letting $i_{pq} = r_pr_q$.
\begin{align*}
\label{firstordercont2}
&\textbf{Continuity} \nonumber \\
&\frac{\partial }{\partial t}\rho + \frac{\partial }{\partial
x_l}(\rho U_l) = 0 \\
\label{firstordermoment2}
&\textbf{Linear Momentum} \nonumber \\
&\frac{\partial}{\partial t}(\rho U_s) + \frac{\partial}{\partial x_l}(\rho
U_sU_l) + \frac{\partial }{\partial x_l}(\rho \langle v'_s v'_l
\rangle + \langle \rho
\epsilon_{spq} v'_l r_{q}\omega'_{p}
\rangle) = 0\\
\label{firstorderangmoment2}
&\textbf{Angular Momentum} \nonumber \\
&\frac{\partial}{\partial t}(\rho i_{sp}W_p) +
\frac{\partial}{\partial x_{l}}(\rho i_{sp}W_pU_l) + \frac{\partial}{\partial
x_{l}}(\rho \langle i_{sp}\omega'_p v'_l
\rangle) = 0 \\ \nonumber
\label{firstordereenergy2}
&\textbf{Energy} \nonumber \\
&\frac{\partial}{\partial t}(\rho e) + \frac{\partial}{\partial
x_{l}}(\rho eU_l) + \frac{\partial}{\partial x_{l}}\frac{1}{2}\langle \rho
v'_{s}v'_{s}v'_{l} + i_{pq}\omega'_{q}\omega'_{p}v'_{l}
\rangle -
\rho \langle v_{l}\frac{\partial e}{\partial x_{l}}
\rangle = 0
\end{align*}
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
For spherical particles $i_{pq} = i_{pp} = \frac{3j}{2}$, where $j$ is termed
the microinertia (Chen, 2017).
\begin{align*}
\label{firstordercont3}
&\textbf{Continuity} \nonumber \\
&\frac{\partial }{\partial t}\rho + \frac{\partial }{\partial
x_l}(\rho U_l) = 0 \\
\label{firstordermoment3}
&\textbf{Linear Momentum} \nonumber \\
&\frac{\partial}{\partial t}(\rho U_s) + \frac{\partial}{\partial x_l}(\rho
U_sU_l) + \frac{\partial }{\partial x_l}(\rho \langle v'_s v'_l
\rangle + \langle \rho
\epsilon_{spq} v'_l r_{q}\omega'_{p}
\rangle) = 0\\
\label{firstorderangmoment3}
&\textbf{Angular Momentum} \nonumber \\
&\frac{\partial}{\partial t}(\frac{3\rho jW_s}{2}) +
\frac{\partial}{\partial x_{l}}(\frac{3\rho jW_sU_l}{2}) +
\frac{\partial}{\partial
x_{l}}\rho\langle\frac{3 j\omega'_s v'_l}{2}
\rangle = 0 \\ \nonumber
\label{firstordereenergy3}
&\textbf{Energy} \nonumber \\
&\frac{\partial}{\partial t}(\rho e) + \frac{\partial}{\partial
x_{l}}(\rho eU_l) + \frac{\partial}{\partial x_{l}}\frac{1}{2}\langle \rho
v'_{s}v'_{s}v'_{l} + \frac{3j\omega'_{p}\omega'_{p}v'_{l}}{2}
\rangle -
\rho \langle v_{l}\frac{\partial e}{\partial x_{l}}
\rangle = 0
\end{align*}
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
Conservation equations give formulations for key forces derived by integration:
\begin{align*}
&\textbf{Heat} \ \textbf{Flux}\\
q_{\alpha} &= \frac{1}{2}\langle \rho v'_{l}v'_{l}v'_{\alpha} +
\frac{3j\omega'_{p}\omega'_{p}v'_{\alpha}}{2}
\rangle \\
&\textbf{Boltzmann} \ \textbf{Stress}\\
t^\text{Bol}_{\alpha \beta} &= -\rho \langle v'_\alpha v'_\beta
\rangle \\
&\textbf{Curtiss} \ \textbf{Stress}\\
t^\text{Cur}_{\alpha \beta} &= - \rho \langle v'_\alpha
\epsilon_{\beta pq}r_{q}\omega'_{p}
\rangle \\
&\textbf{Moment} \ \textbf{Stress}\\
m_{\alpha \beta} &= -\rho \langle \frac{3j\omega'_\beta v'_\alpha}{2}
\rangle
\end{align*}
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
Evaluation of Stress and Heat Flux Tensors: Zeroth Order (Chen, 2017)
\small
\begin{align*}
\begin{split}
\label{zeroheatfluxkinetic}
q^{0}_{\alpha} &= \frac{m\rho}{2n}\int (v_l'v_l'v_\alpha' +
j\omega'_p\omega'_pv_\alpha') (\frac{m\sqrt{j}}{2\pi\theta})^3
exp(-\frac{m(v'^2 + j\omega'^2)}{2\theta})\
d^3v'd^3\omega' \\ &= \mathbf{0}
\end{split}
\\
\begin{split}
\label{zeroBoltzmannstress}
t^{\text{Bol}, 0}_{\alpha \beta} &= -\rho\int
v_\alpha'v_\beta'
(\frac{m\sqrt{j}}{2\pi\theta})^3
exp(-\frac{m(v'^2 + j\omega'^2)}{2\theta}) d^3v' d^3
\omega' \\
&= \mathbf{-n}\bm{\theta\delta_{\alpha \beta}}
\end{split}
\\
\begin{split}
\label{zeroCurtissstress}
t^{\text{Cur}, 0}_{\alpha \beta} &= -\rho\epsilon_{\beta
pq}r_{p}\int
\omega_q'v_{\alpha}'
(\frac{m\sqrt{j}}{2\pi\theta})^3 exp(-\frac{m(v'^2 +
j\omega'^2)}{2\theta}) d^3v' d^3 \omega'\\
&= \mathbf{0}
\end{split}
\\
\begin{split}
\label{zeromomentstress}
m^0_{\alpha \beta} &= -\frac{3\rho j}{2} \int
\omega_{\beta}'v_{\alpha}' (\frac{m\sqrt{j}}{2\pi\theta})^3
exp(-\frac{m(v'^2 + j\omega'^2)}{2\theta}) d^3v' d^3 \omega'
\\ &= \mathbf{0}
\end{split}
\end{align*}
\pause
$\rightarrow$ \textbf{Note}: Terms of the form, $\langle v`^{n}\omega'^{m}f^{0}
\rangle = 0$ when either $n$ or $m$ is odd.
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
Letting $g(x_i, v_i, \omega_i, t) = f(x_i, v_i, \omega_i, t) - f^{0}(x_i, v_i,
\omega_i, t)$:
\begin{equation*}
\begin{split}
(\frac{\partial f}{\partial t})_{coll} = &\int d^3 v_2 \ d^3\omega_2 \ d^3v_1'
\ d^3 \omega_1' \ d^3v_2' \ d^3\omega_2' \ \delta^4(P_f -
P_i)\left|T_{fi}\right|^2\\ &[(f'^{0}_2 + g'_2)(f'^{0}_1 + g'_1) - (f^{0}_2 +
g_2)(f^{0}_1 + g_1)]
\end{split}
\end{equation*}
Noting that all equilibrium distributions are the same, and excluding quadratic
terms:
\begin{equation*}
\begin{split}
(\frac{\partial f}{\partial t})_{coll} \approx &\int d^3 p_2 \ d^3p_1' \
d^3p_2' \ \delta^4(P_f - P_i)\left|T_{fi}\right|^2\\ & (f'^{0}_2g'_1 -
f^{0}_2g_1 + f'^{0}_1g'_2 - g_2 f^{0}_1)
\end{split}
\end{equation*}
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
Order of magnitude determined from evaluation of a typical term:
\begin{equation*}
-g_1 \int d^3 v_2 \ d^3\omega_2 \ d^3 v_1' \ d^3 \omega_1' \
d^3v_2' \ d^3\omega_2' \delta^4(P_f - P_i)\left|T_{fi}\right|^2 f_2^{0} =
-\frac{g}{\tau}
\end{equation*}
\large
Therefore the effect of the collisions on the distribution is approximated
using a single time constant known as \textit{relaxation time}:
\begin{equation*}
(\frac{\partial f}{\partial t})_{coll} \approx - \frac{g}{\tau}
\end{equation*}
Departures from equilibrium for either of the variables occur over $\tau$
before equilibrium is reached \pause $\rightarrow$ \textbf{Experimentally
determined} \\
\pause
\vspace{2mm}
For $H_2$ mixture, at $p = 1$ atm and $T= 77K$, $\tau_{rot} = 2.20
\times 10^{-8}s$ (Montero, 2014)
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
Boltzmann Equation With Collisional Term
\begin{equation*}
\label{FirstOrderTransport}
g = -\tau (\frac{\partial}{\partial t} + v_{i} \frac{\partial}{\partial
x_{i}})(f^{0} + g)
\end{equation*}
Assume $g << f^{0}$
\begin{equation*}
\label{FirstOrderTransportSimple}
g = -\tau (\frac{\partial}{\partial t} + v_{i} \frac{\partial}{\partial
x_{i}})f^{0}
\end{equation*}
Equation contains spatial and temporal derivatives but $f^{0}$ depends on these
variables implicitly \pause $\rightarrow$ Need derivatives of explicit terms in
function
\begin{equation*}
%\label{BoltzmannCurtissSecond}
f^{0}(x_{i}, v_{i}, \omega_{i}, t) = n(\frac{m\sqrt{j}}{2\pi
\theta})^3 exp(-\frac{m(v'_{j}v'_{j} + j\omega'_{p}\omega'_{p})}{2\theta})
\end{equation*}
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
Using chain rule
\begin{equation*}
g = -\tau(D(\rho)\frac{\partial f^0}{\partial \rho} + D(U_{i})\frac{\partial
f^0}{\partial U_i} + D(W_i)\frac{\partial f^0}{\partial W_i} +
D(\theta)\frac{\partial f^{0}}{\partial \theta})
\end{equation*}
where $D(\chi) = (\frac{\partial }{\partial t} + v_i\frac{\partial}{\partial
x_i})\chi$, is the material derivative. Material derivatives found from zeroth
order balance laws:\\
\pause
\begin{align*}
\label{zeroordercontMCT}
\frac{\partial\rho}{\partial t} + \frac{\partial \rho U_l}{\partial
x_l} = 0 &\rightarrow D(\rho)=v_l'\frac{\partial}{\partial
x_l}\rho-\rho\frac{\partial
U_q}{\partial x_q}\\
\label{zeroordermomentMCT}
\frac{\partial}{\partial t}(\rho U_s)+ \frac{\partial }{\partial
x_{l}}(\rho U_lU_s)
=-\frac{\partial }{\partial x_s} (n\theta) &\rightarrow D(U_i)=
v_l'\frac{\partial}{\partial x_l}U_i-\frac{1}{\rho}\frac{\partial
}{\partial x_i} (n\theta)\\
\label{zeroorderangmomentMCT}
\frac{\partial}{\partial t}(\rho jW_s) + \frac{\partial }{\partial
x_l} (\rho jW_sU_l)
= 0 &\rightarrow D(W_i) = v_l'\frac{\partial}{\partial
x_l}W_i \\
\label{zeroordereenergyMCT}
\frac{\partial}{\partial t}(n\theta)+ \frac{\partial }{\partial x_l}
(n\theta U_l)
=-\frac{n\theta}{3} \frac{\partial U_q}{\partial x_q} &\rightarrow
D(\theta)=v_l'\frac{\partial}{\partial x_l}\theta-\frac{1}{3}\theta
\frac{\partial U_q}{\partial x_q}
\end{align*}
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
\Large \textbf{First-Order Distribution Function}
\normalsize
\begin{equation*}
\label{gfull}
\begin{split}
g=-\tau f^{(0)}&[\frac{1}{\rho}(v_i'\frac{\partial \rho}{\partial x_i} -\rho
\frac{\partial U_i}{\partial x_i})
- (\frac{3}{\theta}-
\frac{m(v'^2+j\omega'^2)}{2\theta^2})(v'_{i}\frac{\partial \theta}{\partial
x_i} -
\frac{\theta}{3} \frac{\partial U_q}{\partial x_q}) \\ &+
(\frac{mv'_i}{\theta})(v_l'\frac{\partial U_i}{\partial x_l}
-\frac{1}{\rho}\frac{\partial}{\partial x_i}(n\theta)) +
(\frac{mj\omega_i'}{\theta})(v_l'\frac{\partial W_i}{\partial x_l})]
\end{split}
\end{equation*}
\\
\pause
\Large
Now have distribution function need for finding \textbf{first-order}
approximations to stresses and heat flux
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
Evaluation of Stress and Heat Flux Tensors: \textbf{First-Order Heat Flux}
\begin{align*}
\begin{split}
\label{heatMCTsurface}
q^1_{\alpha} = &\frac{m\rho}{2n}\int (v_l'v_l'v_\alpha' +
j\omega'_p\omega'_pv_\alpha') \ g \
d^3v'd^3\omega' \\
&= \bm{-(4n\tau\theta)\frac{\partial \theta}{\partial x_\alpha}}
\end{split}
\end{align*}
\pause
\textbf{Note 1}: Heat flux fits form of \textbf{Fourier's Law}:
\begin{equation*}
q_{\alpha} = -K\frac{\partial \theta}{\partial x_{\alpha}}
\end{equation*}
\pause
\textbf{Note 2}: Volumetric integrals are presumed to have \textit{spherical
symmetry} i.e. $$\int \int d^3 v' \ d^3\omega' = (4\pi)^2 \int \int v'^2 \
\omega '^2 \ dv' \ d\omega'$$
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
\textbf{First-Order Boltzmann Stress}
\begin{align*}
\begin{split}
\label{surfaceBoltzmann}
t^{\text{Bol},1}_{\alpha \beta} &= -\rho\int
v_\alpha'v_\beta' \ g \ d^3v' \ d^3 \omega' \\
&= \bm{ n\tau\theta(\frac{\partial U_\alpha}{\partial x_\beta}
+ \frac{\partial U_\beta}{\partial x_\alpha}) -
\frac{n\tau\theta}{3}(\frac{\partial U_l}{\partial x_l} \delta_{\alpha \beta}) }
\end{split}
\end{align*}
\normalsize
\pause
\textbf{Note 1}: Form matches classical dissipative stress:
\begin{equation*}
t^{d}_{\alpha \beta} = \mu (\frac{\partial U_{\alpha}}{\partial
x_{\beta}} + \frac{\partial U_{\beta}}{\partial x_{\alpha}}) + \lambda
\frac{\partial U_{l}}{\partial x_{l}}\delta_{\alpha \beta}
\end{equation*}
\pause
\textbf{Note 2}: Zeroth order Boltzmann stress previously supplied a term
related to pressure via \textbf{ideal gas law}
\begin{equation*}
t^{Bol, 0}_{\alpha \beta} = n\theta \delta_{\alpha \beta}
\end{equation*}
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
Evaluation of Stress and Heat Flux Tensors: \textbf{First-Order Curtiss Stress}
\begin{align*}
\begin{split}
\label{surfaceCurtiss}
t^{\text{Cur},1}_{\alpha \beta} &= -\rho\epsilon_{\beta
pq}r_{p}\int \omega_q'v_{\alpha}' \
g \ d^3v' \ d^3 \omega' \\
&= \bm{(n\tau\theta) \epsilon_{\beta pq}r_q \frac{\partial W_p}{\partial
x_\alpha}}
\end{split}
\end{align*}
\pause
\textbf{Note 1}: No classical counterpart for this stress $\rightarrow$ Unique
because of effect of particle rotation \\
\vspace{5mm}
\pause
\textbf{Note 2}: Adds effect of rotation to overall shear stress
\end{frame}
\begin{frame}
\frametitle{Kinetic Theory and the Physics of MCT}
Evaluation of Stress and Heat Flux Tensors: \textbf{First-Order Moment Stress}
\small
\begin{align*}
\begin{split}
\label{surfacemoment}
m^1_{\alpha \beta} &= -\frac{3\rho j}{2} \int
\omega_{\beta}'v_{\alpha}' \ g \ d^3v' \ d^3 \omega'
\\ &=
\bm{(\frac{3n\tau j\theta}{2})\frac{\partial W_{\beta}}{\partial
x_\alpha}}
\end{split}
\end{align*}
\\
\pause
\textbf{Note 1}: Also no classical analogue to this stress \\
\vspace{5mm}
\pause
\textbf{Note 2}: Gyration gradient is found in moment stress in MCT, in the
form of $$\gamma b_{\beta \alpha} = \gamma \frac{\partial W_{\beta}}{\partial
x_{\alpha}}$$\\
\vspace{5mm}
\pause
\textbf{Note 3}: Property $\langle v'_{\alpha} v'_{\beta} \rangle = \langle
v'^2 \rangle \frac{\delta_{\alpha \beta}}{3}$ is employed
\end{frame}
\begin{frame}