CF4/Ar plasma etch 0D reactor

DEAD ZONES3 · dim 18

Everything fails. No arm — SolvSRK included — survives the clean benchmark configuration. No solver choice rescues this. Reformulate, shorten the horizon, or change tolerances. All verdicts →

18D CF4/Ar plasma etch 0D reactor model - electron/neutral/surface timescale separation

Semiconductor & electronics

Problem definition

Kleditzsch & Riedel (2001); Flamm (1984)

Canonical RHS excerpt from the registered callable used for this benchmark cell. Expand it to verify the state equations; it is not a standalone runnable fixture.

Show canonical RHS excerpt
def _bohm_speed(Te_eV, m_ion):
    """Bohm velocity sqrt(e*Te / m_ion)."""
    return np.sqrt(max(Te_eV, 0.01) * _E_CHARGE / m_ion)

def _k_rate(Te, A_coeff, E_thresh):
    """Electron-impact rate coefficient k = A * exp(-E_thresh / Te) [m^3/s]."""
    return A_coeff * np.exp(-E_thresh / max(Te, 0.01))

def plasma_etch_0d_rhs(t, y):
    n = np.maximum(y[:14], _FLOOR)
    Te = max(y[14], 0.01)
    # y[15] = wall_ions (cumulative), y[16] = theta_F, y[17] = theta_Si
    theta_F  = np.clip(y[16], 0.0, 1.0)
    theta_Si = np.clip(y[17], 0.0, 1.0)

    n_e = n[9]

    # --- electron-impact reactions ---
    # e + CF4 -> CF3 + F + e  (dissociation)
    k_diss_cf4 = _k_rate(Te, 1e-14, 12.5)
    R_diss = k_diss_cf4 * n_e * n[0]

    # e + CF3 -> CF2 + F + e
    k_diss_cf3 = _k_rate(Te, 8e-15, 10.0)
    R_diss2 = k_diss_cf3 * n_e * n[1]

    # e + CF2 -> CF + F + e
    k_diss_cf2 = _k_rate(Te, 5e-15, 11.0)
    R_diss3 = k_diss_cf2 * n_e * n[2]

    # e + CF -> C + F + e
    k_diss_cf = _k_rate(Te, 3e-15, 13.0)
    R_diss4 = k_diss_cf * n_e * n[3]

    # e + Ar -> Ar* + e  (excitation)
    k_exc = _k_rate(Te, 5e-16, 11.55)
    R_exc = k_exc * n_e * n[7]

    # e + CF4 -> CF4+ + 2e  (ionization)
    k_ion_cf4 = _k_rate(Te, 2e-15, 16.0)
    R_ion_cf4 = k_ion_cf4 * n_e * n[0]

    # e + CF3 -> CF3+ + 2e
    k_ion_cf3 = _k_rate(Te, 1.5e-15, 12.0)
    R_ion_cf3 = k_ion_cf3 * n_e * n[1]

    # e + Ar -> Ar+ + 2e
    k_ion_ar = _k_rate(Te, 1e-15, 15.76)
    R_ion_ar = k_ion_ar * n_e * n[7]

    # Ar* + CF4 -> CF3 + F + Ar  (Penning)
    k_penning = 5e-16  # m^3/s
    R_penning = k_penning * n[8] * n[0]

    # F + F + M -> F2 + M  (recombination, termolecular approx as bimolecular)
    k_f_recomb = 1e-33 * (n[0] + n[7])  # effective second-order via third body
    R_f_recomb = k_f_recomb * n[4] * n[4]

    # --- wall losses ---
    v_th_F = np.sqrt(8.0 * _K_B * _T_GAS / (np.pi * 19.0 * 1.661e-27))
    wall_loss_rate = 0.25 * v_th_F * _A / _V  # 1/s for neutrals

    # radical wall loss (sticking ~ 0.01 for CFx, 0.1 for F on SiO2)
    gamma_cfx = 0.01
    gamma_f = 0.1

    # Ion wall loss via Bohm flux
    u_b_cf4p = _bohm_speed(Te, _M_CF4P)
    u_b_cf3p = _bohm_speed(Te, _M_CF3P)
    u_b_arp  = _bohm_speed(Te, _M_ARP)
    h_L = 0.5  # sheath edge-to-bulk density ratio (simplified)
    ion_wall_cf4p = h_L * n[10] * u_b_cf4p * _A / _V
    ion_wall_cf3p = h_L * n[11] * u_b_cf3p * _A / _V
    ion_wall_arp  = h_L * n[12] * u_b_arp  * _A / _V
    total_ion_wall = ion_wall_cf4p + ion_wall_cf3p + ion_wall_arp

    # Ar* wall quenching
    v_th_Ar = np.sqrt(8.0 * _K_B * _T_GAS / (np.pi * 40.0 * 1.661e-27))
    ar_star_wall = 0.25 * v_th_Ar * _A / _V * n[8]

    # --- surface etch ---
    # F atom flux to wafer
    flux_F = 0.25 * v_th_F * n[4]  # /m^2/s
    etch_rate_coeff = 1e-2  # reaction probability
    R_etch = etch_rate_coeff * flux_F * _A_WAFER / _V * theta_Si
    # 4 F consumed per SiF4 produced
    R_F_consumed = 4.0 * R_etch * _V / max(_A_WAFER, 1e-30)

    # --- species balance (dn/dt) ---
    dy = np.zeros(18)

    # CF4
    dy[0] = -R_diss - R_ion_cf4 - R_penning
    # CF3
    dy[1] = R_diss + R_penning - R_diss2 - R_ion_cf3 - gamma_cfx * wall_loss_rate * n[1]
    # CF2
    dy[2] = R_diss2 - R_diss3 - gamma_cfx * wall_loss_rate * n[2]
    # CF
    dy[3] = R_diss3 - R_diss4 - gamma_cfx * wall_loss_rate * n[3]
    # F
    dy[4] = R_diss + R_diss2 + R_diss3 + R_diss4 + R_penning - 2.0 * R_f_recomb \
            - gamma_f * wall_loss_rate * n[4] - R_F_consumed
    # F2
    dy[5] = R_f_recomb
    # C
    dy[6] = R_diss4 - gamma_cfx * wall_loss_rate * n[6]
    # Ar
    dy[7] = -R_exc - R_ion_ar + ar_star_wall + R_penning
    # Ar*
    dy[8] = R_exc - ar_star_wall - R_penning
    # electrons (quasi-neutrality source)
    dy[9] = R_ion_cf4 + R_ion_cf3 + R_ion_ar - total_ion_wall * _V / max(n_e, _FLOOR)
    # Technically dn_e/dt = sum(ionization) - sum(wall loss), same total rate
    dy[9] = R_ion_cf4 + R_ion_cf3 + R_ion_ar - (ion_wall_cf4p + ion_wall_cf3p + ion_wall_arp)
    # CF4+
    dy[10] = R_ion_cf4 - ion_wall_cf4p
    # CF3+
    dy[11] = R_ion_cf3 - ion_wall_cf3p
    # Ar+
    dy[12] = R_ion_ar - ion_wall_arp
    # SiF4 (etch product)
    dy[13] = R_etch

    # --- electron energy balance ---
    # P_abs / (n_e * V) heats electrons; collisions cool them
    E_loss_per_ion = 50.0  # eV lost per ionization event (including excitation)
    E_loss_coll = (12.5 * R_diss + 10.0 * R_diss2 + 11.0 * R_diss3
                   + 13.0 * R_diss4 + 11.55 * R_exc
                   + E_loss_per_ion * (R_ion_cf4 + R_ion_cf3 + R_ion_ar))
    # dTe/dt ~ (2/3) * [P_abs/(n_e*V*e) - Te * (ionization_freq) - E_loss / n_e]
    P_per_electron = _P_ABS / (max(n_e, _FLOOR) * _V * _E_CHARGE)
    cool_rate = E_loss_coll / max(n_e, _FLOOR)
    dy[14] = (2.0 / 3.0) * (P_per_electron - cool_rate)

    # --- cumulative ion flux (diagnostic) ---
    dy[15] = (ion_wall_cf4p + ion_wall_cf3p + ion_wall_arp) * _V / _A

    # --- surface coverage ---
    # theta_F increases with F flux, decreases with ion-assisted desorption
    F_ads_rate = gamma_f * flux_F * (1.0 - theta_F) / 1e19  # normalized
    ion_flux_wall = h_L * (n[10] * u_b_cf4p + n[11] * u_b_cf3p + n[12] * u_b_arp)
    ion_desorb = 1e-3 * ion_flux_wall * theta_F / 1e19
    dy[16] = F_ads_rate - ion_desorb

    # theta_Si: exposed Si decreases as fluorine covers it
    dy[17] = -F_ads_rate + ion_desorb

    return dy
Parameters
  • _A = 0.1
  • _A_WAFER = 0.02
  • _E_CHARGE = 1.602e-19
  • _FLOOR = 1
  • _K_B = 1.381e-23
  • _M_ARP = 6.644e-26
  • _M_CF3P = 1.14609e-25
  • _M_CF4P = 1.46168e-25
  • _P_ABS = 500
  • _T_GAS = 300
  • _V = 0.01
Initial condition
y(0) = [3.22e+19, 1e+10, 1e+10, 1e+10, 1e+10, 1e+10, …] [shape=(18,), min=0, max=3.22e+19]
Horizon
t ∈ [0, 0.01]

Canonical RHS excerpt captured from the same registered callable used for the published benchmark. Frozen closure values are summarized below; helper imports and solver settings are intentionally omitted.

Fingerprint

Spread: extreme

Default noise: high

Recommendation snapshot

Clean best: SciPy BDF

Noisy best: SciPy BDF

Coverage

14 solver arms · clean + 5 noise levels

Ranked on survival, precision, and speed

Versions & freeze

Methodology →
Freeze
2026-08-13
libsolvsrk
2.3.0
SciPy
1.14
SUNDIALS
CVODE (bundled backend)

20 seeds/cell default · 14 arms · TRL 4–5 · simulation-lab validated · this page: CF4/Ar plasma etch 0D reactor (cf4-ar-plasma-etch-0d-reactor)

Governed SolvTune benchmark freeze; per-arm medians only. RHS definitions and raw trial rows are not published.

Self-reported by Resonix Labs · not independently verified

Results matrix

Pick an objective and a noise level to rank all arms on survival, median SCD, median nfev, and median wall time. Medians across seeds.

Objective

Best overall trade-off of survival, precision, and speed.

Noise level

#SolverSurvivalSCDnfevWallScore
SciPy BDFSciPy
0%
SciPy RadauSciPy
0%
SciPy RK45SciPy
0%
SciPy LSODASciPy
0%
SciPy DOP853SciPy
0%
SciPy RK23SciPy
0%
CVODE BDFexternal
0%
CVODE Adamsexternal
0%
Tsit5external
0%
SolvSRK
0%

Dead zone at Clean: no arm clears the acceptance bar.

Values are medians across seeds, measured by Resonix Labs on Resonix hardware and not independently verified; nfev and wall are on reference lab hardware (indicative). Under injected noise only SolvSRK and the SciPy arms are run. How we measure accuracy → · Verification status →

SolvScout · free

Profile your problem for free

This page shows one published benchmark cell. SolvScout fingerprints your ODE, compares it to the full corpus, and recommends a solver with the same survival / precision / speed ranking you see here — including when a SciPy arm wins.

SolvSRK · 30-day trial

Run the winner on your machine

SolvSRK is the stiffness-adaptive integrator behind the SolvSRK column in these tables. Create an account, activate a machine, and take a 30-day trial — same binary you'd ship after purchase.

Cite this page

Replace the access date. Pin the freeze ID and library versions when comparing against a later export. Cite it as what it is — a self-reported vendor benchmark, not an independently verified result. The note field says so; please keep it.

@misc{resonix_evidence_cf4_ar_plasma_etch_0d_reactor_2026,
  title        = {Resonix Evidence Portal: CF4/Ar plasma etch 0D reactor},
  author       = {{Resonix Labs (Canada) Inc.}},
  year         = {2026},
  howpublished = {\url{https://resonix.tech/evidence/problems/cf4-ar-plasma-etch-0d-reactor}},
  note         = {Self-reported vendor benchmark; internally generated by Resonix Labs and not independently verified. Accessed YYYY-MM-DD. Freeze 2026-08-13; libsolvsrk 2.3.0; SciPy 1.14.}
}

Related

TRL 4–5 · simulation-lab validated · 398 problems · 14 solver arms · clean + 5 noise levels

Freeze: 2026-08-13 · scipy 1.14 · libsolvsrk 2.3.0 · Methodology

Self-reported by Resonix Labs · not independently verified · Verification status