RadCluster
Graph-based cluster dynamics for irradiated materials
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check_loop_network_loss.py
Go to the documentation of this file.
1"""
2check_loop_network_loss.py — end-to-end test for the loop → network-dislocation
3loss channel (docs/Formulation/dislocation_loops/loop_network_loss.tex).
4
5Verifies, against the C++ production solver:
6
7 1. The channel is genuinely active — with LOOP_NETWORK_LOSS on it removes
8 SIA-loop inventory relative to the OFF baseline (the network sweeps loops
9 into the dislocation reservoir).
10 2. Conservation is NOT degraded by the active channel — the SIA content swept
11 into the network is routed into the J_SIA_fixed ledger (Eq. ledger), so the
12 Frenkel-pair diagnostic dFP with the channel ON matches the OFF baseline.
13 (The *absolute* dFP here is a few ×1e-2 because run_adaptive's multi-segment
14 accounting carries a benign baseline transient at this short, hot, heavily-
15 converting config; the OFF run shows the same level, and the single-segment
16 ledger is exact — see check_loop_conversion_conservation.py. The correct
17 correctness statement is therefore comparative: ON ≈ OFF.)
18 3. The Λ_n^net kernel is built non-zero and folded into the P4 sinks.
19
20Both runs use loop conversion ON so the sessile ⟨100⟩ block (the population the
21note says dominates network incorporation) is exercised through its new C++
22loss term + ledger contribution. χ is set far above its physical O(1) value
23here only so the geometric switch P_ℓd turns on for the small loops the short
24test produces (physical χ/K_rec calibration is Phase 5); w_c is likewise
25amplified to make the per-second removal observable.
26
27Requires a built solver.exe. Run:
28 python codes/Python_Testing/check_loop_network_loss.py
29"""
30import io
31import sys
32from pathlib import Path
33
34import numpy as np
35
36ROOT = Path(__file__).resolve().parents[2]
37sys.path.insert(0, str(ROOT))
38
39try: # robust unicode prints on Windows consoles
40 sys.stdout.reconfigure(encoding="utf-8")
41except Exception:
42 pass
43
44from py_utils.simulation import RadClusterSimulation
45
46
47def _run(network_loss):
48 """Run the C++ solver with loop conversion ON and the network-loss channel
49 either OFF (baseline) or ON. Returns the accumulated results dict and the
50 final dynamic network density rho_net."""
51 _s = sys.stdout, sys.stderr
52 sys.stdout = sys.stderr = io.StringIO()
53 try:
55 I=200, V=200, solver_mode="full_system",
56 physics_option="full_CD_fission", C_floor=1e-25,
57 he_kinetics="quasi_steady_state", i_mobile=5, v_mobile=2)
58 # Drive conversion so the ⟨100⟩ block is populated (high T, low barrier).
59 sim.input_data.reactions["T"] = 700.0 + 273.15
60 sim.input_data.reactions["E_a0_conv"] = 0.8
61 lam_max = 0.0
62 if network_loss:
63 re = sim.input_data.reactions
64 re["LOOP_NETWORK_LOSS"] = 1
65 re["loop_net_chi"] = 1.0e6 # force P_ℓd→1 on the small test loops
66 re["loop_net_w_c"] = 1.0e-3 # amplify Λ so removal shows in ~1 s
67 re["loop_net_K_rec"] = 1.0e-13
68 re["loop_net_n_inc"] = 4 # incorporation onset size
69 sim.input_data._calculate_derived()
70 sim.rebuild_rates()
71 # Several short segments so the operator-split advance (which lags one
72 # segment) actually applies Λ_n^net during the run.
73 cfg = {"t_span": (1e-6, 1e0), "n_points": 40, "log_time": True,
74 "rtol": 1e-7, "atol": 1e-28,
75 "solver_method": {"linsol": "dense"},
76 "loop_conversion": 1}
77 r = sim.run_adaptive(solver_config=cfg, save_output=False,
78 points_per_segment=4)
79 lam_max = float(sim.reaction_rates.Lambda_net_111.max())
80 finally:
81 sys.stdout, sys.stderr = _s
82 return r, lam_max
83
84
85def _sessile_inventory(r, n_inc=4):
86 """Sessile SIA-loop content Σ_{n>=n_inc} n (c_n^{111} + c_n^{100}) at the
87 final time — the population the network-loss channel targets."""
88 I = r["y"].shape[0] if False else 200
89 sz = np.arange(1, I + 1, dtype=float)
90 mask = sz >= n_inc
91 S = float(np.dot(sz[mask], np.maximum(r["y"][:I, -1][mask], 0.0)))
92 if "y_sia100" in r:
93 S += float(np.dot(sz[mask], np.maximum(r["y_sia100"][:, -1][mask], 0.0)))
94 return S
95
96
97def main():
98 fails = 0
99
100 def check(name, cond, *info):
101 nonlocal fails
102 if not cond:
103 fails += 1
104 print(f" {'PASS' if cond else 'FAIL'} {name} {info if info else ''}")
105
106 base, _ = _run(network_loss=False)
107 chan, lam_max = _run(network_loss=True)
108
109 tb = np.asarray(base["t"]); dfp_b = np.asarray(base["delta_FP"])
110 tc = np.asarray(chan["t"]); dfp_c = np.asarray(chan["delta_FP"])
111 late_b = tb >= 1e-2
112 late_c = tc >= 1e-2
113 max_off = float(np.max(dfp_b[late_b]))
114 max_on = float(np.max(dfp_c[late_c]))
115
116 # ── (3) the Lambda_net kernel is built non-zero and folded in ─────────────
117 check("Lambda_net kernel built non-zero", lam_max > 0.0, lam_max)
118
119 # ── (1) the channel is active: it removes sessile loop inventory ──────────
120 S_off = _sessile_inventory(base)
121 S_on = _sessile_inventory(chan)
122 check("channel removes sessile SIA-loop inventory (S_on < S_off)",
123 S_on < S_off * (1.0 - 1e-3), (S_on, S_off, S_on / S_off))
124
125 # ── (2) conservation is NOT degraded by the active channel ────────────────
126 # Comparative gate: dFP with the channel ON tracks the OFF baseline (the
127 # absolute level is a benign multi-segment run_adaptive transient at this
128 # config; the single-segment ledger is exact — see
129 # check_loop_conversion_conservation.py).
130 check("channel does not degrade conservation (max dFP_on <= 1.5x dFP_off)",
131 max_on <= 1.5 * max_off + 1e-9, (max_on, max_off))
132 check("final dFP_on within 2x of dFP_off",
133 dfp_c[-1] <= 2.0 * dfp_b[-1] + 1e-9, (float(dfp_c[-1]), float(dfp_b[-1])))
134
135 print(f"\n{'ALL PASS' if not fails else str(fails) + ' FAILED'}")
136 print(f" [info] Lambda_max={lam_max:.2e} sessile S_I: on={S_on:.4e} off={S_off:.4e} "
137 f"(ratio {S_on/S_off:.4f}) max dFP: on={max_on:.2e} off={max_off:.2e}")
138 return 1 if fails else 0
139
140
141if __name__ == "__main__":
142 sys.exit(main())