fix ttm doc formatting fixes
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@ -136,23 +136,23 @@ transfer between the subsystems:
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\bigtriangledown (\kappa_e \bigtriangledown T_e) -
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\bigtriangledown (\kappa_e \bigtriangledown T_e) -
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g_p (T_e - T_a) + g_s T_a'
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g_p (T_e - T_a) + g_s T_a'
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where C_e is the specific heat, rho_e is the density, kappa_e is the
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where :math:`C_e` is the specific heat, :math:`\rho_e` is the density,
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thermal conductivity, T is temperature, the "e" and "a" subscripts
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:math:`\kappa_e` is the thermal conductivity, *T* is temperature, the
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represent electronic and atomic subsystems respectively, g_p is the
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"e" and "a" subscripts represent electronic and atomic subsystems
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coupling constant for the electron-ion interaction, and g_s is the
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respectively, :math:`g_p` is the coupling constant for the electron-ion
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electron stopping coupling parameter. C_e, rho_e, and kappa_e are
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interaction, and :math:`g_s` is the electron stopping coupling
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specified as parameters to the fix. The other quantities are derived.
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parameter. :math:`C_e`, :math:`\rho_e`, and :math:`\kappa_e` are
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The form of the heat diffusion equation used here is almost the same
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specified as parameters to the fix *ttm* or *ttm/grid*. The other
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as that in equation 6 of :ref:`(Duffy) <Duffy>`, with the exception that the
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quantities are derived. The form of the heat diffusion equation used
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electronic density is explicitly represented, rather than being part
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here is almost the same as that in equation 6 of :ref:`(Duffy) <Duffy>`,
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of the specific heat parameter.
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with the exception that the electronic density is explicitly
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represented, rather than being part of the specific heat parameter.
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Currently, the TTM fixes assume that none of the user-supplied
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Currently, the TTM fixes assume that none of the user-supplied
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parameters will vary with temperature. Note that :ref:`(Duffy)
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parameters will vary with temperature. Note that :ref:`(Duffy) <Duffy>`
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<Duffy>` used a tanh() functional form for the temperature dependence
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used a tanh() functional form for the temperature dependence of the
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of the electronic specific heat, but ignored temperature dependencies
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electronic specific heat, but ignored temperature dependencies of any of
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of any of the other parameters. See more discussion below for fix
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the other parameters. See more discussion below for fix *ttm/mod*.
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ttm/mod.
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.. note::
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.. note::
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@ -265,27 +265,27 @@ heat sources (e.g. laser heating in ablation simulations):
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\bigtriangledown (\kappa_e \bigtriangledown T_e) -
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\bigtriangledown (\kappa_e \bigtriangledown T_e) -
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g_p (T_e - T_a) + g_s T_a' + \theta (x-x_{surface})I_0 \exp(-x/l_{skin})
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g_p (T_e - T_a) + g_s T_a' + \theta (x-x_{surface})I_0 \exp(-x/l_{skin})
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where theta is the Heaviside step function, I_0 is the (absorbed)
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where :math:`\theta` is the Heaviside step function, :math:`I_0` is the
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laser pulse intensity for ablation simulations, l_skin is the depth
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(absorbed) laser pulse intensity for ablation simulations,
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of skin-layer, and all other designations have the same meaning as in
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:math:`l_{skin}` is the depth of the skin-layer, and all other
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the former equation. The duration of the pulse is set by the parameter
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designations have the same meaning as in the former equation. The
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*tau* in the *init_file*.
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duration of the pulse is set by the parameter *tau* in the *init_file*.
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Fix ttm/mod also allows users to specify the dependencies of C_e and
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Fix *ttm/mod* also allows users to specify the dependencies of
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kappa_e on the electronic temperature. The specific heat is expressed
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:math:`C_e` and :math:`\kappa_e` on the electronic temperature. The
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as
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specific heat is expressed as
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.. math::
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.. math::
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C_e = C_0 + (a_0 + a_1 X + a_2 X^2 + a_3 X^3 + a_4 X^4) \exp (-(AX)^2)
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C_e = C_0 + (a_0 + a_1 X + a_2 X^2 + a_3 X^3 + a_4 X^4) \exp (-(AX)^2)
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where *X* = T_e/1000, and the thermal conductivity is defined as
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where :math:`X = \frac{T_e}{1000}`, and the thermal conductivity is
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kappa_e = D_e\*rho_e\*C_e, where D_e is the thermal diffusion
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defined as :math:`\kappa_e = D_e \cdot rho_e \cdot C_e`, where
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coefficient.
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:math:`D_e` is the thermal diffusion coefficient.
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Electronic pressure effects are included in the TTM model to account
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Electronic pressure effects are included in the TTM model to account for
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for the blast force acting on ions because of electronic pressure
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the blast force acting on ions because of electronic pressure gradient
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gradient (see :ref:`(Chen) <Chen>`, :ref:`(Norman) <Norman>`). The total force
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(see :ref:`(Chen) <Chen>`, :ref:`(Norman) <Norman>`). The total force
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acting on an ion is:
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acting on an ion is:
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.. math::
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.. math::
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@ -293,13 +293,14 @@ acting on an ion is:
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{\vec F}_i = - \partial U / \partial {\vec r}_i + {\vec
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{\vec F}_i = - \partial U / \partial {\vec r}_i + {\vec
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F}_{langevin} - \nabla P_e/n_{ion}
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F}_{langevin} - \nabla P_e/n_{ion}
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where F_langevin is a force from Langevin thermostat simulating
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where :math:`F_{langevin}` is a force from Langevin thermostat
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electron-phonon coupling, and nabla P_e/n_ion is the electron blast
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simulating electron-phonon coupling, and :math:`\nabla P_e/n_{ion}` is
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force.
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the electron blast force.
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The electronic pressure is taken to be P_e = B\*rho_e\*C_e\*T_e
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The electronic pressure is taken to be :math:`P_e = B \cdot rho_e \cdot
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C_e \cdot T_e`
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The current fix ttm/mod implementation allows TTM simulations with a
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The current fix *ttm/mod* implementation allows TTM simulations with a
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vacuum. The vacuum region is defined as the grid cells with zero
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vacuum. The vacuum region is defined as the grid cells with zero
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electronic temperature. The numerical scheme does not allow energy
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electronic temperature. The numerical scheme does not allow energy
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exchange with such cells. Since the material can expand to previously
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exchange with such cells. Since the material can expand to previously
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@ -319,10 +320,10 @@ electronic pressure gradient is calculated as
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\frac{x}{x+\lambda}\frac{(C_e{}T_e)_{x+\Delta
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\frac{x}{x+\lambda}\frac{(C_e{}T_e)_{x+\Delta
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x}-(C_e{}T_e)_{x}}{\Delta x} \right]
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x}-(C_e{}T_e)_{x}}{\Delta x} \right]
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where lambda is the electron mean free path (see :ref:`(Norman) <Norman>`,
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where :math:`\lambda` is the electron mean free path (see :ref:`(Norman)
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:ref:`(Pisarev) <Pisarev>`)
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<Norman>`, :ref:`(Pisarev) <Pisarev>`)
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The fix ttm/mod parameter file *init_file* has the following syntax.
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The fix *ttm/mod* parameter file *init_file* has the following syntax.
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Every line with an odd number is considered as a comment and
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Every line with an odd number is considered as a comment and
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ignored. The lines with the even numbers are treated as follows:
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ignored. The lines with the even numbers are treated as follows:
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