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update the integration and NSE docs #1682

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2 changes: 0 additions & 2 deletions integration/integrator_setup_strang.H
Original file line number Diff line number Diff line change
@@ -90,8 +90,6 @@ IntegratorT integrator_setup (BurnT& state, amrex::Real dt, bool is_retry)

burn_to_integrator(state, int_state);

// Save the initial composition, temperature, and energy for our later diagnostics.

return int_state;
}

99 changes: 66 additions & 33 deletions sphinx_docs/source/integrators.rst
Original file line number Diff line number Diff line change
@@ -105,30 +105,50 @@ passed into the integration routines. For this reason, we often need
to pass both the specific integrator's type (e.g. ``dvode_t``) and
``burn_t`` objects into the lower-level network routines.

The overall flow of the integrator is (using VODE as the example):
Below we outline the overall flow of the integrator (using VODE as the
example). Most of the setup and cleanup after calling the particular
integration routine is the same for all integrators, and is handled by
the functions ``integrator_setup()`` and ``integrator_cleanup()``.

#. Call the EOS directly on the input ``burn_t`` state using :math:`\rho` and :math:`T` as inputs.
.. index:: integrator.scale_system, burn_to_integrator, integrator_to_burn
.. index:: integrator.call_eos_in_rhs, integrator.subtract_internal_energy, integrator.burner_verbose

#. Call the EOS directly on the input ``burn_t`` state using
:math:`\rho` and :math:`T` as inputs.

#. Scale the absolute energy tolerance if we are using
``integrator.scale_system``

#. Fill the integrator type by calling ``burn_to_integrator()`` to create a
``dvode_t``.

#. call the ODE integrator, ``dvode()``, passing in the ``dvode_t`` _and_ the
#. Save the initial thermodynamic state for diagnostics and optionally
subtracting off the initial energy later.

#. Call the ODE integrator, ``dvode()``, passing in the ``dvode_t`` *and* the
``burn_t`` --- as noted above, the auxiliary information that is
not part of the integration state will be obtained from the
``burn_t``.

#. subtract off the energy offset---we now store just the energy released
in the ``dvode_t`` integration state.
#. Convert back to a ``burn_t`` by calling ``integrator_to_burn``

#. convert back to a ``burn_t`` by calling ``integrator_to_burn``
#. Recompute the temperature if we are using ``integrator.call_eos_in_rhs``.

#. normalize the abundances so they sum to 1.
#. If we set ``integrator.subtract_internal_energy``, then subtract
off the energy offset, the energy stored is now just that generated
by reactions.

#. Normalize the abundances so they sum to 1 (except if ``integrator.use_number_density`` is set).

#. Output statistics on the integration if we set ``integrator.burner_verbose``.
This is not recommended for big simulations, as it will output information
for every zone's burn.

.. index:: integrator.subtract_internal_energy

.. note::
.. important::

Upon exit, ``burn_t burn_state.e`` is the energy *released* during
By default, upon exit, ``burn_t burn_state.e`` is the energy *released* during
the burn, and not the actual internal energy of the state.

Optionally, by setting ``integrator.subtract_internal_energy=0``
@@ -155,7 +175,8 @@ The righthand side of the network is implemented by

.. code-block:: c++

void actual_rhs(burn_t& state, Array1D<Real, 1, neqs>& ydot)
AMREX_GPU_HOST_DEVICE AMREX_INLINE
void actual_rhs(burn_t& state, amrex::Array1D<amrex::Real, 1, neqs>& ydot)

All of the necessary integration data comes in through state, as:

@@ -245,7 +266,11 @@ The analytic Jacobian is specific to each network and is provided by

.. code-block:: c++

void actual_jac(burn_t& state, MathArray2D<1, neqs, 1, neqs>& jac)
template<class MatrixType>
AMREX_GPU_HOST_DEVICE AMREX_INLINE
void actual_jac(const burn_t& state, MatrixType& jac)

where the ``MatrixType`` is most commonly ``MathArray2D<1, neqs, 1, neqs>``

The Jacobian matrix elements are stored in ``jac`` as:

@@ -316,13 +341,9 @@ Thermodynamics and :math:`e` Evolution
======================================

The thermodynamic equation in our system is the evolution of the internal energy,
:math:`e`.

.. note::

When the system is integrated in an operator-split approach, the
energy equation accounts for only the nuclear energy release and
not pdV work.
:math:`e`. During the course of the integration, we ensure that the temperature stay
below the value ``integrator.MAX_TEMP`` (defaulting to ``1.e11``) by clamping the
temperature if necessary.

At initialization, :math:`e` is set to the value from the EOS consistent
with the initial temperature, density, and composition:
@@ -331,28 +352,40 @@ with the initial temperature, density, and composition:
e_0 = e(\rho_0, T_0, {X_k}_0)
In the integration routines, this is termed the *energy offset*.

As the system is integrated, :math:`e` is updated to account for the
nuclear energy release,
nuclear energy release (and thermal neutrino losses),

.. math:: e(t) = e_0 + \int_{t_0}^t f(\dot{Y}_k) dt

As noted above, upon exit, we subtract off this initial offset, so ``state.e`` in
the returned ``burn_t`` type from the ``actual_integrator``
call represents the energy *release* during the burn.
.. note::

When the system is integrated in an operator-split approach, the
energy equation accounts for only the nuclear energy release and
not pdV work.

If ``integrator.subtract_internal_energy`` is set, then, on exit, we
subtract off this initial $e_0$, so ``state.e`` in the returned
``burn_t`` type from the ``actual_integrator`` call represents the
energy *release* during the burn.

Integration of Equation :eq:`eq:enuc_integrate`
requires an evaluation of the temperature at each integration step
(since the RHS for the species is given in terms of :math:`T`, not :math:`e`).
This involves an EOS call and is the default behavior of the integration.
Note also that for the Jacobian, we need the specific heat, :math:`c_v`, since we
usually calculate derivatives with respect to temperature (as this is the form
the rates are commonly provided in).
Integration of Equation :eq:`eq:enuc_integrate` requires an evaluation
of the temperature at each integration step (since the RHS for the
species is given in terms of :math:`T`, not :math:`e`). This involves
an EOS call and is the default behavior of the integration.

Note also that for the Jacobian, we need the specific heat,
:math:`c_v`, since we usually calculate derivatives with respect to
temperature (as this is the form the rates are commonly provided in).

.. index:: integrator.call_eos_in_rhs

.. note::

If desired, the EOS call can be skipped and the temperature and $c_v$ kept
frozen over the entire time interval of the integration by setting ``integrator.call_eos_in_rhs=0``.
If desired, the EOS call can be skipped and the temperature and
$c_v$ kept frozen over the entire time interval of the integration
by setting ``integrator.call_eos_in_rhs=0``.

.. index:: integrator.integrate_energy

We also provide the option to completely remove the energy equation from
the system by setting ``integrator.integrate_energy=0``.
141 changes: 91 additions & 50 deletions sphinx_docs/source/nse.rst
Original file line number Diff line number Diff line change
@@ -2,6 +2,12 @@
NSE
***

.. important::

NSE is only supported with the simplified-SDC method for
coupling hydrodynamics and reactions. We do not support
operator-splitting (Strang) coupling with NSE.

The reaction networks in Microphysics have the ability to use NSE
instead of integrating the entire network when the conditions are
appropriate. There are 2 different implementations of NSE in
@@ -10,7 +16,7 @@ Microphysics, that have slightly different use cases.
.. index:: USE_NSE_TABLE, USE_NSE_NET

* :ref:`tabulated_nse` : this uses a table of NSE abundances given
:math:`(\rho, T, Y_e)` generate from a large network (125 isotopes).
:math:`(\rho, T, Y_e)` generate from a large network (96 isotopes).
The table also returns :math:`dY_e/dt` resulting from
electron-captures, to allow for the NSE state to evolve. This is
meant to be used in the cores of massive stars and works only with the
@@ -23,8 +29,11 @@ Microphysics, that have slightly different use cases.
:math:`\langle B/A\rangle`. All of the EOS calls will work with
these quantities.

This algorithm was described in :cite:`sdc-nse`.

This is enabled via ``USE_NSE_TABLE``


* :ref:`self_consistent_nse` : this adds an NSE solver to the network that
can be called to find the equilibrium abundances of each of the
species defined in the network. It works with any of the
@@ -61,18 +70,19 @@ standard ``aprox19`` network with a table for nuclear statistic
equilibrium resulting from a much larger network at high density and
temperatures. This option is enabled by building with:

.. prompt:: bash
.. code:: bash
NETWORK_DIR=aprox19 USE_NSE_TABLE=TRUE
Composition and EOS
-------------------

The NSE table was generated using a 125 nuclei reaction network
(described in :cite:`ma:2013`), and includes electron-capture rates,
so the compositional quantities it carries, :math:`\bar{A}` and
:math:`Y_e` and not representable from the 19 isotopes we carry in the
network. In particular, it can attain a lower :math:`Y_e` than
The NSE table was generated using `pynucastro
<https://pynucastro.github.io/pynucastro/>` using 96 nuclei and
electron/positron capture/decay rates from :cite:`langanke:2001`. The
table takes $Y_e$ as the primary composition variable and provides a
set of mass fractions that is mapped into those used by ``aprox19``.
Using the value allows us to attain a lower :math:`Y_e` than
``aprox19`` can represent.

For this reason, when we are using the NSE network, we always take the
@@ -86,35 +96,39 @@ NSE Table Outputs
-----------------

The NSE table provides values for the auxiliary composition,
:math:`Y_e`, :math:`\bar{A}`, and :math:`\langle B/A \rangle`
resulting from the full 125 nuclei network. It also provides a set of 19
:math:`\bar{A}`, and :math:`\langle B/A \rangle`
resulting from the full 96 nuclei network. It also provides a set of 19
:math:`X_k` that map into the isotopes carried by ``aprox19``.


These three quantities are stored as ``aux`` data in the network and
are indexed as ``iye``, ``iabar``, and ``ibea``. Additionally, when
coupling to hydrodynamics, we need to advect these auxiliary
quantities.

For Strang split coupling of hydro and reactions, :math:`DX_k/Dt = 0`,
and our evolution equations are:
The evolution equations for the auxiliary variables are:

.. math::
\begin{align*}
\frac{DY_e}{Dt} &= \sum_k \frac{Z_k}{A_k} \frac{DX_k}{Dt} = 0 \\
\frac{D}{Dt} \frac{1}{\bar{A}} &= - \frac{1}{\bar{A}^2} \frac{D\bar{A}}{Dt} = \sum_k \frac{1}{A_k} \frac{DX_k}{Dt} = 0 \rightarrow \frac{D\bar{A}}{Dt} = 0 \\
\frac{D}{Dt} \left (\frac{B}{A} \right ) &= \sum_k \frac{B_k}{A_k} \frac{DX_k}{Dt} = 0
\frac{DY_e}{Dt} &= \sum_k \frac{Z_k}{A_k} \dot{\omega}_k \\
\frac{D\bar{A}}{Dt} &= -\bar{A}^2 \sum_k \frac{1}{A_k} \dot{\omega}_k \\
\frac{D}{Dt} \left (\frac{B}{A} \right ) &= \sum_k \frac{B_k}{A_k} \dot{\omega}_k
\end{align*}
Therefore each of these auxiliary equations obeys an advection equation
in the hydro part of the advancement.

The table also provides $dY_e/dt$, $(d\langle
B/A\rangle/dt)_\mathrm{weak}$, and $\epsilon_{\nu,\mathrm{react}}$, the
weak rate neutrino losses. These quantities are used to update the
thermodynamic state as we integrate.

NSE Flow
--------

The basic flow of a simulation using ``aprox19`` + the NSE table is as follows:
.. index:: integrator.nse_deriv_dt_factor, integrator.nse_include_enu_weak

The time integration algorithm is described in detail in :cite:`sdc-nse`. Here
we provide an outline:

* initialize the problem, including :math:`X_k`

@@ -129,34 +143,58 @@ The basic flow of a simulation using ``aprox19`` + the NSE table is as follows:

* if we are in an NSE region:

* use :math:`\rho`, :math:`T`, and :math:`Y_e` to call the table.
This returns: :math:`dY_e/dt`, :math:`(B/A)_{\rm out}`, and :math:`\bar{A}_{\rm out}`.

* update :math:`Y_e` :
* Compute the initial temperature given $\rho$, $e$, and $Y_e$,
using an EOS inversion algorithm that understands NSE (in
particular that the composition depends on $T$ in NSE)

.. math::
* Compute the plasma neutrino losses, $\epsilon_{\nu,\mathrm{thermal}}$

(Y_e)_{\rm out} = (Y_e)_{\rm in} + \Delta t \frac{dY_e}{dt}
* Use :math:`\rho`, :math:`T`, and :math:`Y_e` to evaluate the NSE
state and construct $[\Rb(\Uc^\prime)]^n$, the source term from reactions to the
reduced conserved state $\Uc^\prime$ (this is the state used by the SDC algorithm
and includes the internal energy density, mass fractions, and auxiliary variables).

* :math:`\bar{A}_{\rm out}` is simply the value returned from the table
This is done via finite differencing in time (through a step
$\tau \ll \Delta t$), and the reactive sources are constructed
to exclude the advective contributions. The size of $\tau$ is
controlled via ``integrator.nse_deriv_dt_factor``.

* the energy generation rate, :math:`e_{\rm nuc}` is:
In particular, the energy source is constructed as:

.. math::
e_{\rm nuc} = \eta \left [ \left ( \frac{B}{A} \right )_{\rm out} -
\left ( \frac{B}{A} \right )_{\rm in} \right ] * \frac{1.602 \times 10^{-6} {\rm erg}}{{\rm MeV}} N_A \frac{1}{\Delta t}
R(\rho e) = N_A \frac{\Delta (\rho \langle B/A\rangle)}{\tau} + N_A \Delta m_{np} c^2 \rho \frac{dY_e}{dt} - \rho (\epsilon_{\nu,\mathrm{thermal}} + \epsilon_{\nu,\mathrm{react}})
where $\Delta m_{np}$ is the difference between the neutron and H atom mass.

.. important::

It only makes sense to include the weak rate neutrino losses, $\epsilon_{\nu,\mathrm{react}}$,
if the initial model that you are using in your simulation also included those losses.
Otherwise, the energy loss from our NSE table will likely be too great and that simulation
will not be in equilibrium. This is an issue, for example, when using a MESA model
constructed with ``aprox21``, which does not have all of the weak rates we model here.

where :math:`\eta` is an inertia term < 1 to prevent the energy changing too much in one set.
The weak rate neutrino losses can be disabled by ``integrator.nse_include_enu_weak=0``.

* the new binding energy for the zone is then:
* Predict $\Uc^\prime$ to the midpoint in time, $n+1/2$ and construct
$[\Rb(\Uc^\prime)]^{n+1/2}$.

* Do the final update to time $n$ as:

.. math::
\left ( \frac{B}{A} \right )_{\rm out} = \left ( \frac{B}{A} \right )_{\rm in} + \eta \left [ \left ( \frac{B}{A} \right )_{\rm out} - \left ( \frac{B}{A} \right )_{\rm in} \right ]
\Uc^{\prime,n+1/2} = \Uc^{\prime,n} + \frac{\Delta t}{2} [\Advs{\Uc^\prime}]^{n+1/2} + \frac{\Delta t}{2} [\Rb(\Uc^\prime)]^{n+1/2}
* update the mass fractions, :math:`X_k`, using the values from the table
where $[\Advs{\Uc^\prime}]^{n+1/2}$ are the advective updates carried by the SDC
algorithm.

* Compute the energy generation rate from the change in internal energy from $\Uc^{\prime,n}$ to $\Uc^{\prime,n+1}$, excluding advection.

* Update the total energy.

* Set the mass fractions carried on the grid from the NSE table (with the new temperature and $Y_e$).

* if we are not in NSE:

@@ -168,35 +206,38 @@ The basic flow of a simulation using ``aprox19`` + the NSE table is as follows:
NSE check
---------

For a zone to be consider in NSE, we require $\rho$ > ``rho_nse`` and *either*
.. index:: network.rho_nse, network.T_nse, network.T_always_nse
.. index:: network.He_Fe_nse, network.C_nse, network.O_nse, network.Si_nse

For a zone to be consider in NSE, we require $\rho$ > ``network.rho_nse`` and *either*

* $T$ > ``T_nse`` together with the composition check
* $T$ > ``network.T_nse`` together with the composition check

* $T$ > ``T_always_nse``
* $T$ > ``network.T_always_nse``

where we assume that ``T_always_nse`` > ``T_nse``.

The composition check considers the following nuclei groups:

* ``He_group``: atomic numbers 1 to 2 (H to He)
* He-group: atomic numbers 1 to 2 (H to He)

* ``C_group``: atomic numbers 6 to 7 (C to N)
* C-group: atomic numbers 6 to 7 (C to N)

* ``O_group``: atomic number 8 (O)
* O-group: atomic number 8 (O)

* ``Si_group``: atomic number 14 (Si)
* Si-group: atomic number 14 (Si)

* ``Fe_group``: atomic numbers 24 to 30 (Cr to Zn)
* Fe-group: atomic numbers 24 to 30 (Cr to Zn)

and we then say that a composition supports NSE if:

* :math:`X(C_\mathrm{group})` < ``C_nse``
* :math:`X(\mathrm{C}_\mathrm{group})` < ``network.C_nse``

* :math:`X(O_\mathrm{group})` < ``O_nse``
* :math:`X(\mathrm{O}_\mathrm{group})` < ``network.O_nse``

* :math:`X(Si_\mathrm{group})` < ``Si_nse``
* :math:`X(\mathrm{Si}_\mathrm{group})` < ``network.Si_nse``

* :math:`X(Fe_\mathrm{group}) + X(He_\mathrm{group})` > ``He_Fe_nse``
* :math:`X(\mathrm{Fe}_\mathrm{group}) + X(\mathrm{He}_\mathrm{group})` > ``network.He_Fe_nse``



@@ -205,9 +246,9 @@ NSE table ranges

The NSE table was created for:

* :math:`9 < \log_{10}(T) < 10.4`
* :math:`9.4 < \log_{10}(T) < 10.4`
* :math:`7 < \log_{10}(\rho) < 10`
* :math:`0.4 < Y_e < 0.5`
* :math:`0.43 < Y_e < 0.5`



@@ -250,8 +291,8 @@ different syntax.
The overall framework is constructed following :cite:`Kushnir_2020` with slight
variations. The overview of the steps we take are the following:

* Minimum Temperature Check: require ``T > T_min_nse``, where ``T_min_nse`` is
a runtime parameter with a default value ``T_min_nse = 4.0e9``.
* Minimum Temperature Check: require ``T > nse.T_min_nse``, where ``nse.T_min_nse`` is
a runtime parameter with a default value ``nse.T_min_nse = 4.0e9``.

* Mass Abundance Check: compare the current mass abundances of the nuclei to
the NSE mass fractions. A detailed criteria are the following:
@@ -280,13 +321,13 @@ variations. The overview of the steps we take are the following:

.. math::
\epsilon_{abs} = Y^i - Y^i_{NSE} < \mbox{nse_abs_tol}
\epsilon_{abs} = Y^i - Y^i_{NSE} < \mbox{nse.nse_abs_tol}
.. math::
\epsilon_{rel} = \frac{\epsilon_{abs}}{Y^i} < \mbox{nse_rel_tol}
\epsilon_{rel} = \frac{\epsilon_{abs}}{Y^i} < \mbox{nse.nse_rel_tol}
where ``nse_rel_tol = 0.2`` and ``nse_abs_tol = 0.005`` by default.
where ``nse.nse_rel_tol = 0.2`` and ``nse.nse_abs_tol = 0.005`` by default.


* **Removed** :cite:`Kushnir_2020` also requires a fast reaction cycle that
95 changes: 72 additions & 23 deletions sphinx_docs/source/ode_integrators.rst
Original file line number Diff line number Diff line change
@@ -1,9 +1,11 @@
.. _ch:networks:integrators:

*********************
Available Integrators
*********************
***************
ODE Integrators
***************

Available integrators
=====================

We use a high-order implicit ODE solver for integrating the reaction
system. A few alternatives, including first order implicit and explicit integrators are also
@@ -43,6 +45,8 @@ the allowed options are:
the `Gershgorin circle theorem <https://en.wikipedia.org/wiki/Gershgorin_circle_theorem>`_
is used instead.

.. index:: integrator.use_jacobian_caching

* ``VODE``: the VODE :cite:`vode` integration package. We ported this
integrator to C++ and removed the non-stiff integration code paths.

@@ -60,12 +64,6 @@ robust.

.. index:: integrator.scale_system

.. important::

The integrator will not abort if it encounters trouble. Instead it will
set ``burn_t burn_state.success = false`` on exit. It is up to the
application code to handle the failure.

.. note::

The runtime parameter ``integrator.scale_system``
@@ -81,6 +79,67 @@ robust.

This option currently does not work with the ForwardEuler or QSS integrators.

Timestep selection
==================

All of the integrators will select the timestep internally to meet the
tolerances. There are 2 controls that affect timestepping:

* ``integrator.ode_max_dt`` : sets the maximum allowed timestep

* ``integrator.ode_max_steps`` : sets the maximum number of steps
the integrator is allowed to take. If it exceeds this, then
it will return an error.


Linear algebra
==============

All implicit integrators use the LINPACK LU decomposition routines.

For the templated networks (``aprox13``, ``aprox19``, ...) the implementation
is done using ``consexpr`` loops over the equations and no pivoting is allowed.

.. index:: integrator.linalg_do_pivoting

For the other networks (usually pynucastro networks), the implementation is
provided in ``Microphysics/util/linpack.H`` and is templated on the number
of equations. Pivoting can be disabled by setting ``integrator.linalg_do_pivoting=0``.

Integration errors
==================

.. important::

The integrator will not abort if it encounters trouble. Instead it will
set ``burn_t burn_state.success = false`` on exit. It is up to the
application code to handle the failure.

The ``burn_t`` ``error_code`` field will provide an error code that can be
used to interpret the failure. The current codes are:

+-------+----------------------------------------------------------+
| code | meaning |
+=======+==========================================================+
| 1 | success |
+-------+----------------------------------------------------------+
| -1 | invalid inputs |
+-------+----------------------------------------------------------+
| -2 | underflow in computing $\Delta t$ |
+-------+----------------------------------------------------------+
| -3 | spectral radius estimation did not converge |
+-------+----------------------------------------------------------+
| -4 | too many steps needed |
+-------+----------------------------------------------------------+
| -5 | unable to meet the accuracy demanded by the tolerances |
+-------+----------------------------------------------------------+
| -6 | non-convergence in the corrector iteration |
+-------+----------------------------------------------------------+
| -7 | LU decomposition failed |
+-------+----------------------------------------------------------+
| -100 | entered NSE |
+-------+----------------------------------------------------------+

Tolerances
==========

@@ -131,6 +190,8 @@ is used for the temperature and energy.
Controlling Species $\sum_k X_k = 1$
====================================

.. index:: integrator.renormalize_abundances, integrator.SMALL_X_SAFE, integrator.do_species_clip

The ODE integrators don't know about the constraint that

$$\sum_k X_k = 1$$
@@ -164,6 +225,8 @@ constraint on the intermediate states during the integration.
Retry Mechanism
===============

.. index:: integrator.ode_max_steps

Integration can fail for a number of reasons. Some of the errors you may see are:

1. Not enough steps allowed (``integrator.ode_max_steps``)
@@ -232,17 +295,3 @@ The runtime parameters that come into play when doing the retry are:
``integrator.ode_max_steps`` to a small value (like ``10000``) and
start with the analytic Jacobian (``integrator.jacobian = 1``) and
then use the retry mechanism to swap the Jacobian on any zones that fail.


Overriding Parameter Defaults on a Network-by-Network Basis
===========================================================

Any network can override or add to any of the existing runtime
parameters by creating a ``_parameters`` file in the network directory
(e.g., ``networks/triple_alpha_plus_cago/_parameters``). As noted in
:doc:`rp_intro`, the fourth column in the ``_parameter``
file definition is the *priority*. When a duplicate parameter is
encountered by the scripts writing the runtime parameter header files, the value
of the parameter with the highest priority is used. So picking a large
integer value for the priority in a network’s ``_parameter`` file will
ensure that it takes precedence.
47 changes: 47 additions & 0 deletions sphinx_docs/source/refs.bib
Original file line number Diff line number Diff line change
@@ -625,3 +625,50 @@ @misc{autodiff
howpublished = {\texttt{https://autodiff.github.io}},
year = {2018}
}


@article{sdc-nse,
doi = {10.3847/1538-4357/ad8a66},
url = {https://dx.doi.org/10.3847/1538-4357/ad8a66},
year = {2024},
month = {nov},
publisher = {The American Astronomical Society},
volume = {977},
number = {1},
pages = {30},
author = {Michael Zingale and Zhi Chen and Eric T. Johnson and Max P. Katz and Alexander Smith Clark},
title = {Strong Coupling of Hydrodynamics and Reactions in Nuclear Statistical Equilibrium for Modeling Convection in Massive Stars},
journal = {The Astrophysical Journal},
abstract = {We build on the simplified spectral deferred corrections
(SDC) coupling of hydrodynamics and reactions to
handle the case of nuclear statistical equilibrium
(NSE) and electron/positron captures/decays in the
cores of massive stars. Our approach blends a
traditional reaction network on the grid with a
tabulated NSE state from a very large, nuclei
network. We demonstrate how to achieve second-order
accuracy in the simplified-SDC framework when
coupling NSE to hydrodynamics, with the ability to
evolve the star on the hydrodynamics time step. We
discuss the application of this method to convection
in massive stars leading up to core collapse. We
also show how to initialize the initial convective
state from a 1D model in a self-consistent
fashion. All of these developments are done in the
publicly available Castro simulation code and the
entire simulation methodology is fully
GPU-accelerated.}
}

@article{langanke:2001,
title = {RATE TABLES FOR THE WEAK PROCESSES OF pf-SHELL NUCLEI IN STELLAR ENVIRONMENTS},
journal = {Atomic Data and Nuclear Data Tables},
volume = {79},
number = {1},
pages = {1-46},
year = {2001},
issn = {0092-640X},
doi = {https://doi.org/10.1006/adnd.2001.0865},
author = {K. LANGANKE and G. MARTÍNEZ-PINEDO},
abstract = {The weak interaction rates in stellar environments are computed for pf-shell nuclei in the mass range A=45–65 using large-scale shell-model calculations. The calculated capture and decay rates take into consideration the latest experimental energy levels and log ft-values. The rates are tabulated at the same grid points of density and temperature as those used by Fuller, Fowler, and Newman for densities ρY e =10–1011 g/cm3 and temperatures T=107–1011 K, and hence are relevant for both types of supernovae (Type Ia and Type II). Effective 〈ft〉 values for capture rates and average neutrino (antineutrino) energies are also given to facilitate the use of interpolated rates in stellar evolution codes.}
}