Lineage tour

The lineage of one result

The map derives the QHGK thermal conductivity of amorphous silicon through typed edges, a lineage record pins the run that produced one value of it, and each part has its own URL.

1 · The derivation

Read top to bottom: sources, the DFT chain, harmonic quantities, scattering channels, and transport. Observable nodes carry no gauge freedom. Hidden nodes depend on a gauge choice: the eigenvectors, group velocities, and linewidths are intermediates, and the QHGK thermal conductivity at the bottom is an approximation. The dashed edge illustrates a learned shortcut: a surrogate model that produces the same linewidth node without computing the third-order force constants. The same derivation is live in the tracer.

Observable Hidden (gauge-dependent) Learned shortcut (illustration)

This screen is too narrow for the diagram; the tracer link above opens the same derivation.

2 · The lineage record

The map stores the quantity and its value; the lineage record pins how the number was made and where the bulk data lives. This is an example record; open it in the playground. Raw artifacts never enter the store: the record carries pointers, and the files stay with their provider.

Thermal conductivity (QHGK) Id 1a28bb40b08f
material
a-Si
value
κ = 2.2 W/(m K)
conditions
T = room temperature
hyperparameters
potential = Tersoff · supercell = 4096 atoms · template = qhgk_kappa
execution
code = kaldo
artifacts
FORCE_CONSTANTS role: force_constants