VIRTUAL FAB LAB

How the lab simulations work

Every equation behind the lab tests, what each symbol means, and which parts are textbook physics and which are simplified.

These are teaching models. They give realistic trends and orders of magnitude, so you can learn what changes a device and why. The exact numbers have not been validated against measured devices, so don't use them to design real hardware.

How to read this document

Every lab follows the same chain. You draw mask layers, the lab "fabricates" them with realistic process errors, it measures the geometry of what came out, and then each test turns that geometry and the materials you picked into a measurement. This document follows that chain for every lab and every test. The Sand to Chip foundry is the exception: it follows a batch of sand through the whole supply chain instead (section 8).

Each equation is labelled with one of three tags:

These are teaching models. They give the right trends and realistic orders of magnitude, but the exact numbers have not been validated against measured devices. Material properties are rounded textbook values.

Constants used throughout

SymbolMeaningValue
FFaraday constant: charge carried by one mole of electrons96,485 C/mol
RGas constant8.314 J/(mol·K)
TTemperature (body temperature unless a test says otherwise)310 K (37 °C)
kBBoltzmann constant1.381 × 10−23 J/K
ε0Permittivity of free space8.854 × 10−12 F/m
ωAngular frequency, ω = 2πfrad/s
jThe imaginary unit, √−1 (used in impedance)

1. From your drawing to a device (all labs)

Before any test runs, the lab turns your drawing into a device. This is why two devices from the same drawing never measure exactly the same.

1.1 Lithography bias [Fit + Luck]

Every drawn shape grows or shrinks by half the bias b on each side:

printed edge = drawn edge ± b/2

The bias comes from the process settings. With positive resist, over-exposure widens openings; with negative resist it narrows them. Under-developing leaves residue, over-developing undercuts. In code, the change in opening width is

open = s × 0.12 × tr × (r − 1) − 0.35 × residue × min(feature, 40 µm) + 0.08 × tr × undercut

where s = +1 for positive resist and −1 for negative resist, tr is the resist thickness, and r is the dose divided by the dose the resist needs. With lift-off the material fills the openings, so b = open. With etching the material is what the resist protects, so b = −open. Holes (cut shapes) take the opposite sign, because a hole shrinks when the material around it grows. Each device gets ±10% random variation on the bias.

1.2 Pattern quality [Fit]

Each layer gets a quality score between 0 and 1. It is the product of five factors:

Q = fdose × fdevelop × fresolution × faspect × flift-off × √fbake

Quality scales conductivity and capacitance in the tests, and raises the chance of shorts.

1.3 Misalignment [Luck]

Every layer after the first is shifted by a random (dx, dy). The spread is about 3 µm with printed film masks and 0.7 µm with chrome masks.

Pyrolysis: SU-8 to glassy carbon [Fit]

Glassy carbon electrodes are made the carbon-MEMS way: the SU-8 is patterned like any negative resist, then heated in an inert gas (usually 1000 °C in nitrogen) until everything but carbon has left as gas.

1.4 Geometry and connectivity [Physics, numerical]

1.5 Resistance of a drawn conductor [Physics, numerical]

Each pixel of conductor has a sheet conductance g = σ × t (conductivity × thickness). The lab solves the steady current-flow equation on the grid,

∇ · (g ∇V) = 0

with the contact pad held at one voltage and the far end (or the electrode area) at another. The resistance is the voltage divided by the total current. This means bends, narrow necks and wide pads all count correctly, which a simple R = ρL/A would miss.

2. Neural Interface Chip (neural probes)

2.1 Geometry fed into every test

2.2 The electrode–saline interface (used by every test)

When metal meets saline, ions line up at the surface and form a double layer, which behaves like a leaky, imperfect capacitor.

2.3 Impedance spectroscopy (EIS)

The lab builds an equivalent circuit at every frequency from 10 Hz up and computes its complex impedance Z.

Double layer, a constant-phase element (CPE) [Physics]:

YCPE = Q × A × (jω)α

Y is admittance (1/Z). When α = 1 this is an ordinary capacitor, Y = jωC.

Charge-transfer resistance [Physics]: in a solution with a redox couple, electrons can cross the interface. Linearising the Butler–Volmer equation for small signals gives

Rct = RT / (F2 k0 C Atrue)

where k0 is the electrode's rate constant (cm/s), C the redox concentration and Atrue the true (rough) area. With no redox couple, Rct is set very large (about 5 × 106 Ω·cm2 ÷ area), so almost no current crosses [Fit].

Spreading resistance [Physics]: current spreading from a small disk into a large bath meets the resistance Rs = ρ / (4r) (Newman's result), where ρ is the saline resistivity and r the disk radius. Small sites have high spreading resistance.

Whole circuit [Physics]:

Z = Rs + Rtrace + 1 / (YCPE + 1/Rct)

then the trace's parasitic capacitance sits in parallel with all of it: Ztotal = Z / (1 + jωCparZ). Cpar grows 2% for each day the probe has soaked, as water enters the insulation.

Noise [Luck]: each point gets 1% random error (3% below 10 Hz).

What to look for: at high frequency |Z| flattens at Rs + Rtrace. At low frequency the double layer dominates, so |Z| rises as about 1/fα and the phase approaches −90° × α.

2.4 Cyclic voltammetry (CV)

The potential sweeps up and down at scan rate ν (V/s) and the current is recorded.

Charging current [Physics]: the double layer charges and discharges as the voltage ramps:

ic = ± Ceff ν, with Ceff = Q A ωeqα−1 and ωeq = 2πν / (2ΔE)

ωeq is the frequency the triangle sweep most resembles (one up-and-down over the window ΔE). This converts the CPE into an effective capacitance at that scan rate.

Ferri/ferrocyanide redox: a full diffusion simulation [Physics, numerical]

This is the most rigorous test in the lab. Instead of using a formula for the peak current, the lab solves the diffusion problem directly. Both forms of the couple, oxidised (O) and reduced (R), obey Fick's second law in the solution next to the electrode:

∂c/∂t = D ∂2c/∂x2

This is solved on a grid of distances from the electrode, step by step in time (finite differences). At the electrode surface, the reaction rate follows Butler–Volmer kinetics:

kf = k0 exp(−αf(E − E0)),   kb = k0 exp((1−α)f(E − E0)),   f = F/RT, α = 0.5

flux = kb cR − kf cO,   current i = nFA × flux

The applied potential is corrected for iR drop: the electrode actually sees E = Eapplied − i(Rs + Rtrace). Values: D = 7 × 10−6 cm2/s, 5 mM of each form, E0 = 0.22 V. Two cycles are run and the second is shown, so the starting transient is gone.

How this relates to the Randles–Sevcik equation

The Randles–Sevcik equation is the textbook answer to this same diffusion problem for a fast (reversible) reaction at a flat electrode, starting with only one form present:

ip = 0.4463 n F A C √(nFνD / RT)

Because the lab solves the underlying diffusion equation, Randles–Sevcik behaviour emerges on its own rather than being imposed. A check on a 333 µm2 glassy carbon site gave:

Scan rate (V/s)Simulated peak (nA)Randles–Sevcik (nA)RatioPeak separation ΔEp (mV)
0.012.791.511.8558
0.18.484.761.7870
125.215.11.6793

Other CV features [Fit]: the platinum and gold oxide and hydrogen peaks, and iridium oxide's redox waves, are Gaussian peaks scaled by the material's charge storage capacity. Water splitting is an exponential current beyond about −0.7 V and +1.0 V.

Charge storage capacity from the CV [Physics, analysis]: CSC = ∫ |icathodic| dE / (ν A), the cathodic charge per area, as labs report it.

2.5 Dopamine

Constant-potential amperometry [Physics × Fit]: a small disk held at an oxidising potential reaches a steady-state current set by diffusion from all directions:

i = 4 n F D r C

with n = 2 electrons per dopamine, D = 6 × 10−6 cm2/s, and an effective radius reff = r × √roughness (roughness capped at 40). The result is multiplied by the coating's blocking factor and a material factor, 0.5 + 0.5 × min(da/90, 5), where da is the material's dopamine sensitivity.

Fast-scan cyclic voltammetry (FSCV)

2.6 Glutamate (enzyme sensor with a sentinel)

2.7 Recording spikes

2.8 A month in saline (soak test)

2.9 Insertion

3. Supercapacitor lab

3.1 Materials

Each electrode material has a specific surface area (m2/g), conductivity, density, pseudocapacitance (F/g), micropore fraction and cycle life. Treatments (annealing, chemical reduction, acid, nitrogen doping) multiply these properties. Each electrolyte has a conductivity κ, a voltage window, an areal double-layer capacitance and an ion size.

Specific capacitance [Physics, simplified × Fit]:

cEDL = SSA × utilisation × carea × access,   with access = 1 − 0.9 × micropore fraction × ion size

cspec = cEDL + cpseudo (F/g)

SSA is the specific surface area, utilisation the fraction the electrolyte wets, carea the electrolyte's double-layer capacitance per area (about 0.07 to 0.12 F/m2). Big ions cannot enter micropores, which is what the access factor captures.

3.2 Planar interdigitated chip

The two electrodes are side by side on the chip, and the lab measures them from your drawing.

3.3 Coin, pouch and jelly roll cells

Here the drawing is one electrode sheet (the coating on its foil). The cell is built from two identical sheets facing each other across a separator.

The default templates give about 0.15 F and 1.3 Ω (coin), 33 F and 12 mΩ (pouch, 10 sheets), and 21 F and 21 mΩ (jelly roll, 14 × 48 mm can). A commercial 18650-size cell is 25 to 50 F and about 20 mΩ. Energy density is about half of a commercial cell's, because the activated carbon model gives about 45 F/g per electrode where real material gives 100 to 120 F/g.

3.4 Tests (all formats)

Continuity check: a short reads its short resistance, a lost device reads open, a good device reads open but charges.

Cyclic voltammetry [Physics + Fit for the shape]: the device is a resistor (ESR) in series with a capacitor C(V), plus a leakage resistor Rleak = τsd/C (self-discharge). Driven by a triangle wave, the capacitor voltage follows

dVc/dt = (Vapplied − Vc) / (ESR × C(V)),   i = C dVc/dt + Vc/Rleak

C(V) is flat for a pure double layer, so the CV is a rectangle. Pseudocapacitance adds a Gaussian hump in the middle of the window. A large ESR × C time constant rounds the corners and tilts the box.

Capacitance from the CV [Physics, analysis]: C = ∫ |i| dV / (2 ν ΔV), the total charge in the loop over twice the sweep.

Galvanostatic charge–discharge (GCD) [Physics]: a fixed current I flows in and out. dVc/dt = ± I / C(V), and the terminal reads V = Vc ± I × ESR. Reversing the current makes a sudden drop of 2I × ESR (the IR drop). The lab extracts

C = I × tdischarge / (Vmax − IR drop),   ESR = IR drop / 2I,   coulombic efficiency = tdischarge / tcharge

Impedance (EIS) [Physics]: the de Levie transmission line describes ions moving into a porous electrode:

Z = Rs + (Rp / √(jωRpC)) × coth √(jωRpC) + Rct ∥ Ci

Rs is the series resistance (ESR minus Rp/3), Rp the pore resistance, and Rct ∥ Ci a small charge-transfer arc for pseudocapacitive materials. On a Nyquist plot this gives the left intercept (Rs), a 45° line (ions diffusing into pores) and then a near-vertical rise (an ideal capacitor). The capacitance at 10 mHz is C = 1 / (2πf × |Z″|).

Rate sweep: CV at 1 to 1000 mV/s. Capacitance falls at fast scans when ESR × C is long compared with the sweep time.

Ragone sweep: GCD at many currents. Energy = ∫ V I dt during discharge; average power = energy / discharge time.

Cycling [Fit]: retention = 100% × exp(−n / life), with life shortened when operating above 90% of the voltage window.

Headline metrics [Physics]: energy E = ½ C V2, peak power P = V2 / (4 ESR) (maximum power transfer into a matched load).

4. Glucose sensor (continuous glucose monitor)

The sensor is an electrode under stacked films: an enzyme layer (glucose oxidase), an outer membrane that limits glucose, and often an inner film that rejects interferents. In the body it is wrapped in a fibrous capsule.

5. Transistors (MOSFET and BioFET)

6. MEMS (accelerometer, gyroscope, micromirror)

7. Sand to Chip virtual foundry

8.1 Sand sorting and cleaning [Fit]

The pile is a seeded random arrangement of grain types (quartz, feldspar, iron-stained grains, heavy minerals and so on) for the chosen site. Hand-picking removes grains, and each cleaning stage (magnetic separation, washing, flotation, acid leaching) removes a set share of each grain type or converts it. The result is the pile's mass fractions of silica, iron, aluminium, titanium, calcium, boron and phosphorus, in ppm.

8.2 Arc furnace: making metallurgical silicon

The reaction is SiO2 + 2C → Si + 2CO. The chemistry needs 40 kg of carbon per 100 kg of silica.

8.3 Siemens process: purifying to polysilicon

8.4 Czochralski crystal growth

8.5 Wafering

8.6 The transistor process

8.7 The chip, its yield and its cost

8. Quantum Foundry (transmon qubit chips)

9. Organ chip lab (brain, gut, lung and kidney barriers)

10. Where the physics could be tightened

  1. FSCV dopamine is the most empirical test. At carbon electrodes dopamine adsorbs to the surface, so the FSCV peak follows the surface-confined (Laviron) relation ip = n2 F2 ν A Γ / (4RT), where Γ is the adsorbed amount from an isotherm. The current grows with ν, not √ν, so Randles–Sevcik does not apply. Replacing the constant "da" with Γ from a Langmuir isotherm would make FSCV come from physics like the ferri/ferrocyanide CV does.
  2. A Randles–Sevcik and Nicholson readout on the CV test: show the measured peak next to the Randles–Sevcik prediction, a baseline-corrected peak, and k0 estimated from the peak separation.
  3. Radial diffusion at small disks: adding the steady-state disk term 4nFDrC to the planar diffusion simulation would make microelectrodes behave correctly at slow scans.
  4. Calibrate against real data: one measured impedance at 1 kHz and one CV per material and site size would let the material tables be fitted rather than estimated.

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