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LabDataStorageEvaluation/docs/specs/01_lab_configuration.md
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01 - Laboratory Configuration

Context / Goal

Define the authoritative laboratory model that all downstream tasks (data generation, ontology, schemas) must follow. This file is a specification, not code; produce ./out/config/lab_config.yaml capturing everything below.

Dependencies

None (root task).

Material system

  • Substrate: Ti-6Al-4V coupons, 10 × 10 × 3 mm.
  • Adhesion layer: Cr (sputtered).
  • Functional coating: Pt-Au deposited in a composition gradient across each wafer; film thickness range 0.3-1.1 µm.

Instruments

Role Instrument Data produced
Friction RAPID custom high-throughput parallelized 6-probe tribometer COF vs cycle per track; test conditions
Nanoindentation Bruker TI980 TriboIndenter Hardness, reduced modulus (25 indents/coupon)
Composition Bruker M4 Tornado micro-XRF (assumed model) Pt/Au wt% map per coupon (20×20 grid)
Deposition Kurt J. Lesker PVD 200 sputter-down Batch deposition parameters
Surface roughness AFM Topography image metadata + Ra/Rq per coupon
Film thickness Optical profilometry Thickness map per coupon (10×10 grid)
Simulation SIMTRA (sputter transport Monte-Carlo) Deposition atom-energy / composition profiles per deposition run

Deposition matrix (4 batches)

Batch Pt:Au gun tilt Pt power Au power Pt discharge Au discharge
B721 20°:0° 150 W 50 W 432 V 311 V
B722 20°:20° 100 W 100 W 399 V 352 V
B723 20°:20° 150 W 50 W 430 V 311 V
B724 0°:20° 50 W 150 W 376 V 340 V

Hierarchy and volumes

batch (×4) → wafer (×3 per batch) → coupon (×49 per wafer, 7×7 grid) = 588 coupons
  • Friction testing: 480 coupons (4 RAPID runs × 120 coupons: 5 plates × 6 probes × 4 coupons/square).
  • Reserve/QA: 108 coupons (no friction data; characterization only).
  • Environments: run R1,R2 = Lab Air (µ_normal); run R3,R4 = Dry N2 (µ_dry_nit).
  • Tracks: 3 replicate tracks per friction coupon, identical conditions, fresh counterface ball per track (3 balls per holder) → 1,440 tracks.
  • Cycles: 1,000 reciprocating cycles per track → 1,440,000 cycle records.
  • Friction loops: every 100th cycle stores a position-resolved loop of 200 points → 1,440 × 10 × 200 = 2,880,000 loop points.
  • Nominal test conditions: normal load 100 mN, stroke 1 mm, sliding speed 1 mm/s, ruby (Al2O3) ball Ø 3.175 mm; RH 45% (Lab Air) / 2% (Dry N2); T 23 ± 1 °C.

Physical models for value simulation (used in task 03)

  • Coupon Au wt%: linear gradient across wafer x-position, batch-dependent center: B721 8%, B722 25%, B723 10%, B724 60%; ±5 wt% span across wafer; XRF grid adds N(0, 0.3) noise.
  • COF run-in: cof(c) = cof_ss + (cof_0 - cof_ss)·exp(-c/τ) + N(0, σ); cof_0 ∈ [0.35, 0.5]; τ ∈ [100, 400] cycles; σ = 0.01.
  • Steady-state COF depends on Au% and environment: Lab Air cof_ss = 0.32 - 0.0015·Au%; Dry N2 cof_ss = 0.24 - 0.0012·Au%; clamp ≥ 0.12.
  • Hardness: H = 8.5 - 0.05·Au% + N(0, 0.25) GPa; reduced modulus Er = 190 - 0.6·Au% + N(0, 4) GPa.
  • Roughness Ra: log-normal, median 5 nm, σ_log 0.3.
  • Thickness: 0.3-1.1 µm, radial wafer profile + noise.
  • Wear volume per track: Archard-like V = k·F·s, k depends on Au% and environment; store as track-level derived measurement.

Output

  • ./out/config/lab_config.yaml - machine-readable version of everything above (volumes, matrices, model coefficients, seed).
  • Marker ./out/.done/01.ok.