APB Energy Calculator
Calculate the antiphase boundary (APB) energy per unit area (mJ/m²) from the per-atom APB energy (eV/atom) and the planar atomic density (1/nm²). Model: E = apbEnergyPerAtom × atomDensity × 160.2176634 mJ·m⁻²/(eV·nm⁻²); assumes an ideal planar APB with uniform density. Per-area result is not the total boundary energy (multiply by area for total energy). apbEnergyEvPerAtom must be ≥0 eV (0 yields 0 mJ/m²); atomDensityPerNm2 must be >0 1/nm². No relaxation, segregation, or temperature dependence is included.
Description
Convert antiphase-boundary energy per atom and planar atomic density into boundary energy per square meter.
Calculate the antiphase boundary (APB) energy per unit area (mJ/m²) from the per-atom APB energy (eV/atom) and the planar atomic density (1/nm²). Model: E = apbEnergyPerAtom × atomDensity × 160.2176634 mJ·m⁻²/(eV·nm⁻²); assumes an ideal planar APB with uniform density. Per-area result is not the total boundary energy (multiply by area for total energy). apbEnergyEvPerAtom must be ≥0 eV (0 yields 0 mJ/m²); atomDensityPerNm2 must be >0 1/nm². No relaxation, segregation, or temperature dependence is included.
When to use APB Energy Calculator
- Convert antiphase-boundary energy per atom and planar atomic density into boundary energy per square meter.
- Compare fabrication or device scenarios while holding coefficients and unit conventions constant.
- Check a hand calculation before moving to a higher-fidelity process, circuit, or TCAD model.
How the calculation works
The output is energy per area, not the total energy of a finite boundary.
γAPB = Eatom · planar atom density · 160.2176634 mJ/m² per (eV/nm²) Interpreting the result
The output is energy per area, not the total energy of a finite boundary.
Assumptions and limitations
- Uniform planar density is assumed; reconstruction, segregation, relaxation, orientation, and temperature effects are omitted.
- Use parameters measured for the same material, geometry, temperature, and operating regime whenever the result informs engineering work.