driftlet 1.0.0 → 1.1.0

package/src/types.js

@@ -39,6 +39,8 @@
  * @property {{ species: string, conductivity: number }} [conductor] a metal or fast ion
  *   conductor: its one carrier and conductivity (S/m); its only level is the carrier's (a metal's
  *   Fermi level), and φ is undefined inside
+ * @property {number} [T] the temperature its data are for (K): a device at another temperature
+ *   warns (semiconductor() sets it)
  */
 
 /**
@@ -163,7 +165,8 @@
  *   species and the terminal species at the port's level
  * @property {Record<string, { mu0: number, capacity: number, theta0?: number }>} [surface] with reactions: species
  *   on the electrode's sites, Langmuir (μ = μ° + RT ln(θ/θ₀)), capacity in mol of sites per m² of electrode,
- *   shared; a reaction with `bare: true` runs only on the bare fraction θ₀ = 1 − Σθ
+ *   shared; reactions run on Langmuir sites (what fills sites needs bare ones), and one with `bare: true`
+ *   needs a bare site even if it fills none (θ₀ = 1 − Σθ)
  * @property {{ C: number, zeroCharge?: number }} [capacitance] a capacitance spread through the window (F/m² of
  *   electrode): σ = C (V − zeroCharge − φ) on the port's side, aσ in each node's charge balance; a gate
  *   along a channel, a double layer

package/types/data.d.ts

@@ -15,19 +15,56 @@ export function aqueous(names: string[], { epsr, material }?: {
 };
 /**
  * A semiconductor from `SEMICONDUCTORS`, as a library piece: electrons `e-` and holes `h+`, with
- * c_ref = Nc and Nv, D from the mobilities by the Einstein relation at 300 K, and μ°_e⁻ = 0 (φ
- * anchored at the conduction band) and μ°_h⁺ = Eg·F. The data are for 300 K, so use `T: 300`.
+ * c_ref = Nc and Nv, D from the mobilities by the Einstein relation at T, and μ°_e⁻ = 0 (φ
+ * anchored at the conduction band) and μ°_h⁺ = Eg·F. The data are for 300 K; another T (150 to
+ * 500 K) moves them: the gap by Varshni's shift from 300 K, Nc and Nv as T^1.5, the mobilities by
+ * lattice-limited power laws (light doping). The material carries its `T`, and a device at
+ * another temperature warns: give the device the same T.
  * Statistics are ideal (Boltzmann); add Fermi–Dirac to the material for degenerate doping.
  * @param {string} name 'Si', 'Ge' or 'GaAs'
- * @param {{ material?: string }} [opts]
+ * @param {{ material?: string, T?: number }} [opts] the material's name, and the temperature
+ *   (K, default 300, the table's)
  * @returns {{ species: object[], materials: Record<string, object> }}
  */
-export function semiconductor(name: string, { material }?: {
+export function semiconductor(name: string, { material, T }?: {
     material?: string;
+    T?: number;
 }, ...args: any[]): {
     species: object[];
     materials: Record<string, object>;
 };
+/**
+ * A trap level in a semiconductor that holds charge: its two charge states as immobile species
+ * (D = 0), filled and emptied by capturing carriers, e⁻ + X⁰ = X⁻ and X⁻ + h⁺ = X⁰ (acceptor-like)
+ * or X⁺ + e⁻ = X⁰ and X⁰ + h⁺ = X⁺ (donor-like). In steady state it recombines at exactly the
+ * `srh` law's rate with the same τ_n, τ_p and n₁, and its charge is in Poisson's equation, which
+ * the `srh` law (the trap's occupancy eliminated) leaves out. Each node keeps its own total.
+ * @param {{ species: object[], materials: Record<string, object> }} lib a library entry with e⁻
+ *   and h⁺ (semiconductor()), returned with the trap's states added
+ * @param {{ density: number, tauN: number, tauP: number, n1?: number, charge?: 'acceptor' | 'donor',
+ *   name?: string, material?: string, T?: number }} opts density N_t (mol/m³); τ_n = 1/(c_n N_t)
+ *   and τ_p = 1/(c_p N_t) (s) at that density; n₁, the electron density that half-fills it
+ *   (mol/m³; default n_i, midgap); T (K, default the material's T, else 300)
+ * @returns {{ library: object, bulkReactions: object[], c0: Record<string, number> }} the library
+ *   for build(), the capture reactions, and c0 for each layer holding the trap (its total N_t)
+ */
+export function trap(lib: {
+    species: object[];
+    materials: Record<string, object>;
+}, { density, tauN, tauP, n1, charge, name, material, T }?: {
+    density: number;
+    tauN: number;
+    tauP: number;
+    n1?: number;
+    charge?: "acceptor" | "donor";
+    name?: string;
+    material?: string;
+    T?: number;
+}, ...args: any[]): {
+    library: object;
+    bulkReactions: object[];
+    c0: Record<string, number>;
+};
 /**
  * A metal from `METALS` as a conductor material, its carrier `e-`.
  * @param {string} name
@@ -57,7 +94,7 @@ export const H2O: -237.129e3;
 export const WATER_EPSR: 78.3;
 /**
  * Semiconductors at 300 K (Sze, Physics of Semiconductor Devices, 2nd ed., 1981, appendix):
- * relative permittivity, band gap Eg (eV), electron affinity chi (V), effective densities of
+ * relative permittivity, band gap Eg (eV), electron affinity chi (eV), effective densities of
  * states Nc and Nv (cm⁻³), and drift mobilities of lightly doped material mun and mup
  * (cm²/(V·s)).
  */

package/types/errors.d.ts

@@ -6,6 +6,14 @@
  * @param {new (message: string) => Error} [Kind]
  */
 export function checkOptions(where: string, opts: unknown, allowed: string[], Kind?: new (message: string) => Error): void;
+/**
+ * A value as an error message shows it: a number as itself (NaN and Infinity too, which JSON
+ * would print as null), a string quoted and called one ("350", a string, where a number was
+ * wanted).
+ * @param {unknown} v
+ * @returns {string}
+ */
+export function shown(v: unknown): string;
 export class DeviceError extends Error {
     constructor(message: any);
 }

package/types/kit.d.ts

@@ -66,4 +66,4 @@ export { hodgkinHuxley, ghkCurrent } from "./channels.js";
 export { describe, unitWarnings } from "./describe.js";
 export { henderson, planck } from "./junction.js";
 export { perovskiteCell, PEROVSKITE_SCANS, hysteresis } from "./devices.js";
-export { IONS, H2O, WATER_EPSR, SEMICONDUCTORS, METALS, aqueous, semiconductor, metal } from "./data.js";
+export { IONS, H2O, WATER_EPSR, SEMICONDUCTORS, METALS, aqueous, semiconductor, metal, trap } from "./data.js";

package/types/solver.d.ts

@@ -115,6 +115,7 @@ export class Solver {
     chargeNode: Uint8Array<any>;
     chargeNodes: Int32Array<ArrayBuffer>;
     lateStorage: Uint8Array<any>;
+    portHeldEnd: Uint8Array<ArrayBuffer>;
     combining: boolean;
     bookkeeping: any;
     bookkeepingFaces: number[];
@@ -209,6 +210,7 @@ export class Solver {
     dtNow: any;
     transformed: any;
     _nodeConductor(g: any, dt: any): void;
+    _portHeldAt(g: any, i: any): boolean;
     _nodesDilute(g0: any, g1: any, dt: any): void;
     _nodeConcentrated(g: any, dt: any): void;
     _storage(g: any, i: any, dt: any, Kz?: number): void;

package/types/types.d.ts

@@ -88,6 +88,11 @@ export type MaterialDef = {
         species: string;
         conductivity: number;
     };
+    /**
+     * the temperature its data are for (K): a device at another temperature
+     * warns (semiconductor() sets it)
+     */
+    T?: number;
 };
 export type GridOptions = {
     /**
@@ -390,7 +395,8 @@ export type PortDef = {
     /**
      * with reactions: species
      * on the electrode's sites, Langmuir (μ = μ° + RT ln(θ/θ₀)), capacity in mol of sites per m² of electrode,
-     * shared; a reaction with `bare: true` runs only on the bare fraction θ₀ = 1 − Σθ
+     * shared; reactions run on Langmuir sites (what fills sites needs bare ones), and one with `bare: true`
+     * needs a bare site even if it fills none (θ₀ = 1 − Σθ)
      */
     surface?: Record<string, {
         mu0: number;