RadCluster
Graph-based cluster dynamics for irradiated materials
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Public Member Functions | Public Attributes | Protected Member Functions | Protected Attributes | List of all members
py_utils.reaction_rates.ReactionRates Class Reference
+ Collaboration diagram for py_utils.reaction_rates.ReactionRates:

Public Member Functions

 __init__ (self, input_data)
 
 phi_junc (self)
 
 __getstate__ (self)
 
 __setstate__ (self, state)
 
 loop_network_drho_dt (self, c_111, c_100=None)
 
 format_diagnostic (self, mean_n_i=None)
 
 print_diagnostic (self, mean_n_i=None)
 

Public Attributes

 inp
 
 E_b_i2
 
 K_SIA_grow
 
 Z_i_loop_arr
 
 K_SIA_loop
 
 K_SIA_shrink
 
 G_SIA
 
 k2_SIA
 
 K_1D_pref
 
 K_VAC_grow
 
 K_VAC_shrink
 
 K_HeV
 
 G_VAC
 
 k2_vac_scalar
 
 k2_He_scalar
 
 k2_SIA_scalar
 
 K_iv
 
 alpha_bubble_fn
 
 alpha_He_emit_fn
 
 K_1D_eff_fn
 
 K_3D_cav_pref
 
 D_SIA_eff
 
 loop_coal
 
 loop_coal_pref
 
 D_loop_coal
 
 D_VAC_eff
 
 A_sph_inv_O23
 
 A_loop_inv_O23
 
 loop_energetics
 
 Gamma_uni
 
 conversion_dF
 
 conv_psuccess
 
 conv_psuccess_abs
 
 dH2_abs_conv
 
 psucc_abs_pref
 
 K_100_grow
 
 K_100_shrink
 
 G_100
 
 k2_100
 
 n_loop_min
 
 d_loop_111
 
 d_loop_100
 
 Lambda_net_111
 
 Lambda_net_100
 
 loop_network_loss
 
 rho_net
 
 K_rec
 
 void_network_loss
 
 Lambda_net_void
 
 L_ld_void
 
 B_rot
 
 L_hat
 
 alpha_He
 

Protected Member Functions

 _precompute (self)
 

Protected Attributes

 _loop_net_on
 
 _phi_junc_params
 
 _phi_junc_n
 
 _phi_junc_cache
 

Detailed Description

Pre-computed rate constant arrays for the RadCluster_2_1 ODE system.

Arrays are 0-indexed: index k corresponds to cluster size k+1.

Parameters
----------
input_data : InputData

Definition at line 127 of file reaction_rates.py.

Constructor & Destructor Documentation

◆ __init__()

py_utils.reaction_rates.ReactionRates.__init__ (   self,
  input_data 
)

Definition at line 138 of file reaction_rates.py.

Member Function Documentation

◆ __getstate__()

py_utils.reaction_rates.ReactionRates.__getstate__ (   self)

Definition at line 962 of file reaction_rates.py.

◆ __setstate__()

py_utils.reaction_rates.ReactionRates.__setstate__ (   self,
  state 
)

Definition at line 973 of file reaction_rates.py.

◆ _precompute()

py_utils.reaction_rates.ReactionRates._precompute (   self)
protected

Definition at line 142 of file reaction_rates.py.

◆ format_diagnostic()

py_utils.reaction_rates.ReactionRates.format_diagnostic (   self,
  mean_n_i = None 
)
Return key rate constants as a formatted string.

Parameters
----------
mean_n_i : float, optional
    Mean SIA cluster size <n> at the current output step.

Definition at line 1005 of file reaction_rates.py.

◆ loop_network_drho_dt()

py_utils.reaction_rates.ReactionRates.loop_network_drho_dt (   self,
  c_111,
  c_100 = None 
)
Operator-split network-density rate dρ_net/dt (loop_network_loss.tex,
Eq. rho_net_balance):

    dρ_net/dt = (π/Ω) Σ_c Σ_n d_n^(c) Λ_n^(c) c_n^(c)  −  K_rec ρ_net^{3/2}

``c_111`` / ``c_100`` are atom-fraction loop distributions (size arrays);
``c_100`` may be None when the ⟨100⟩ population is absent.  Returns 0.0
when the channel is off.  Called by simulation.run_adaptive between
segments to advance ρ_net explicitly while it is held frozen inside the
stiff cluster solve.

Definition at line 979 of file reaction_rates.py.

◆ phi_junc()

py_utils.reaction_rates.ReactionRates.phi_junc (   self)
Marian junction-branching matrix φ_junc[n−1, n′−1], built lazily.

φ = P_success · φ_max · exp(−(ln(n/n'))² / 2σ_s²) · Θ(min(n,n') ≥ n_j_min).

This is a dense [I, I] array consumed only by the Python GraphWalker
(the reference RHS) and the loop-conversion unit tests.  The production
C++ solver computes the same branching on the fly per (n,n') pair, so
the matrix is built only on first access and never on a C++ run —
avoiding an ~O(I²) allocation that is infeasible at production sizes.

Definition at line 938 of file reaction_rates.py.

◆ print_diagnostic()

py_utils.reaction_rates.ReactionRates.print_diagnostic (   self,
  mean_n_i = None 
)
Print key rate constants — called at output time steps.

Definition at line 1040 of file reaction_rates.py.

Member Data Documentation

◆ _loop_net_on

py_utils.reaction_rates.ReactionRates._loop_net_on
protected

Definition at line 203 of file reaction_rates.py.

◆ _phi_junc_cache

py_utils.reaction_rates.ReactionRates._phi_junc_cache
protected

Definition at line 749 of file reaction_rates.py.

◆ _phi_junc_n

py_utils.reaction_rates.ReactionRates._phi_junc_n
protected

Definition at line 748 of file reaction_rates.py.

◆ _phi_junc_params

py_utils.reaction_rates.ReactionRates._phi_junc_params
protected

Definition at line 747 of file reaction_rates.py.

◆ A_loop_inv_O23

py_utils.reaction_rates.ReactionRates.A_loop_inv_O23

Definition at line 649 of file reaction_rates.py.

◆ A_sph_inv_O23

py_utils.reaction_rates.ReactionRates.A_sph_inv_O23

Definition at line 648 of file reaction_rates.py.

◆ alpha_bubble_fn

py_utils.reaction_rates.ReactionRates.alpha_bubble_fn

Definition at line 583 of file reaction_rates.py.

◆ alpha_He

py_utils.reaction_rates.ReactionRates.alpha_He

Definition at line 935 of file reaction_rates.py.

◆ alpha_He_emit_fn

py_utils.reaction_rates.ReactionRates.alpha_He_emit_fn

Definition at line 584 of file reaction_rates.py.

◆ B_rot

py_utils.reaction_rates.ReactionRates.B_rot

Definition at line 933 of file reaction_rates.py.

◆ conv_psuccess

py_utils.reaction_rates.ReactionRates.conv_psuccess

Definition at line 714 of file reaction_rates.py.

◆ conv_psuccess_abs

py_utils.reaction_rates.ReactionRates.conv_psuccess_abs

Definition at line 743 of file reaction_rates.py.

◆ conversion_dF

py_utils.reaction_rates.ReactionRates.conversion_dF

Definition at line 685 of file reaction_rates.py.

◆ d_loop_100

py_utils.reaction_rates.ReactionRates.d_loop_100

Definition at line 801 of file reaction_rates.py.

◆ d_loop_111

py_utils.reaction_rates.ReactionRates.d_loop_111

Definition at line 800 of file reaction_rates.py.

◆ D_loop_coal

py_utils.reaction_rates.ReactionRates.D_loop_coal

Definition at line 635 of file reaction_rates.py.

◆ D_SIA_eff

py_utils.reaction_rates.ReactionRates.D_SIA_eff

Definition at line 608 of file reaction_rates.py.

◆ D_VAC_eff

py_utils.reaction_rates.ReactionRates.D_VAC_eff

Definition at line 645 of file reaction_rates.py.

◆ dH2_abs_conv

py_utils.reaction_rates.ReactionRates.dH2_abs_conv

Definition at line 744 of file reaction_rates.py.

◆ E_b_i2

py_utils.reaction_rates.ReactionRates.E_b_i2

Definition at line 267 of file reaction_rates.py.

◆ G_100

py_utils.reaction_rates.ReactionRates.G_100

Definition at line 780 of file reaction_rates.py.

◆ G_SIA

py_utils.reaction_rates.ReactionRates.G_SIA

Definition at line 513 of file reaction_rates.py.

◆ G_VAC

py_utils.reaction_rates.ReactionRates.G_VAC

Definition at line 559 of file reaction_rates.py.

◆ Gamma_uni

py_utils.reaction_rates.ReactionRates.Gamma_uni

Definition at line 684 of file reaction_rates.py.

◆ inp

py_utils.reaction_rates.ReactionRates.inp

Definition at line 139 of file reaction_rates.py.

◆ k2_100

py_utils.reaction_rates.ReactionRates.k2_100

Definition at line 781 of file reaction_rates.py.

◆ k2_He_scalar

py_utils.reaction_rates.ReactionRates.k2_He_scalar

Definition at line 570 of file reaction_rates.py.

◆ k2_SIA

py_utils.reaction_rates.ReactionRates.k2_SIA

Definition at line 535 of file reaction_rates.py.

◆ k2_SIA_scalar

py_utils.reaction_rates.ReactionRates.k2_SIA_scalar

Definition at line 576 of file reaction_rates.py.

◆ k2_vac_scalar

py_utils.reaction_rates.ReactionRates.k2_vac_scalar

Definition at line 565 of file reaction_rates.py.

◆ K_100_grow

py_utils.reaction_rates.ReactionRates.K_100_grow

Definition at line 778 of file reaction_rates.py.

◆ K_100_shrink

py_utils.reaction_rates.ReactionRates.K_100_shrink

Definition at line 779 of file reaction_rates.py.

◆ K_1D_eff_fn

py_utils.reaction_rates.ReactionRates.K_1D_eff_fn

Definition at line 585 of file reaction_rates.py.

◆ K_1D_pref

py_utils.reaction_rates.ReactionRates.K_1D_pref

Definition at line 544 of file reaction_rates.py.

◆ K_3D_cav_pref

py_utils.reaction_rates.ReactionRates.K_3D_cav_pref

Definition at line 589 of file reaction_rates.py.

◆ K_HeV

py_utils.reaction_rates.ReactionRates.K_HeV

Definition at line 556 of file reaction_rates.py.

◆ K_iv

py_utils.reaction_rates.ReactionRates.K_iv

Definition at line 579 of file reaction_rates.py.

◆ K_rec

py_utils.reaction_rates.ReactionRates.K_rec

Definition at line 806 of file reaction_rates.py.

◆ K_SIA_grow

py_utils.reaction_rates.ReactionRates.K_SIA_grow

Definition at line 474 of file reaction_rates.py.

◆ K_SIA_loop

py_utils.reaction_rates.ReactionRates.K_SIA_loop

Definition at line 490 of file reaction_rates.py.

◆ K_SIA_shrink

py_utils.reaction_rates.ReactionRates.K_SIA_shrink

Definition at line 510 of file reaction_rates.py.

◆ K_VAC_grow

py_utils.reaction_rates.ReactionRates.K_VAC_grow

Definition at line 550 of file reaction_rates.py.

◆ K_VAC_shrink

py_utils.reaction_rates.ReactionRates.K_VAC_shrink

Definition at line 553 of file reaction_rates.py.

◆ L_hat

py_utils.reaction_rates.ReactionRates.L_hat

Definition at line 934 of file reaction_rates.py.

◆ L_ld_void

py_utils.reaction_rates.ReactionRates.L_ld_void

Definition at line 907 of file reaction_rates.py.

◆ Lambda_net_100

py_utils.reaction_rates.ReactionRates.Lambda_net_100

Definition at line 803 of file reaction_rates.py.

◆ Lambda_net_111

py_utils.reaction_rates.ReactionRates.Lambda_net_111

Definition at line 802 of file reaction_rates.py.

◆ Lambda_net_void

py_utils.reaction_rates.ReactionRates.Lambda_net_void

Definition at line 893 of file reaction_rates.py.

◆ loop_coal

py_utils.reaction_rates.ReactionRates.loop_coal

Definition at line 625 of file reaction_rates.py.

◆ loop_coal_pref

py_utils.reaction_rates.ReactionRates.loop_coal_pref

Definition at line 626 of file reaction_rates.py.

◆ loop_energetics

py_utils.reaction_rates.ReactionRates.loop_energetics

Definition at line 659 of file reaction_rates.py.

◆ loop_network_loss

py_utils.reaction_rates.ReactionRates.loop_network_loss

Definition at line 804 of file reaction_rates.py.

◆ n_loop_min

py_utils.reaction_rates.ReactionRates.n_loop_min

Definition at line 782 of file reaction_rates.py.

◆ psucc_abs_pref

py_utils.reaction_rates.ReactionRates.psucc_abs_pref

Definition at line 745 of file reaction_rates.py.

◆ rho_net

py_utils.reaction_rates.ReactionRates.rho_net

Definition at line 805 of file reaction_rates.py.

◆ void_network_loss

py_utils.reaction_rates.ReactionRates.void_network_loss

Definition at line 892 of file reaction_rates.py.

◆ Z_i_loop_arr

py_utils.reaction_rates.ReactionRates.Z_i_loop_arr

Definition at line 475 of file reaction_rates.py.


The documentation for this class was generated from the following file: