Pith Number

pith:RF5KPRDP

pith:2026:RF5KPRDPPVQG2HW6LND3ZROOXN

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Density Profiles and Direct Correlation Functions from Density Functional Theory in Binary Hard-Sphere Crystals: Substitutional Solid and Interstitial Solid Solution

Alessandro Simon, Martin Oettel

The large-large components of the inhomogeneous direct correlation functions in binary hard-sphere crystals scale as one over the vacancy concentration and admit a simple geometric picture.

arxiv:2604.18189 v2 · 2026-04-20 · cond-mat.stat-mech · cond-mat.soft

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\usepackage{pith}
\pithnumber{RF5KPRDPPVQG2HW6LND3ZROOXN}

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The bundle contains the canonical record plus signed events. A mirror can host it anywhere and recompute the same current state with the deterministic merge algorithm.

Claims

C1strongest claim

The large-large components of the inhomogeneous two-body direct correlation functions are mainly determined by the vacancy concentration n_vac and show a characteristic magnitude ~1/n_vac. Based on this observation, we propose a simple geometric picture of this six-dimensional function.

C2weakest assumption

The White Bear II functional from fundamental measure theory provides quantitatively accurate density profiles and direct correlation functions for these inhomogeneous binary hard-sphere crystals.

C3one line summary

DFT calculations reveal Gaussian density peaks in substitutional binary hard-sphere crystals but delocalized small-sphere profiles in interstitial ones, with large-large direct correlation functions dominated by vacancy concentration.

Receipt and verification

First computed	2026-06-19T16:11:23.254436Z
Builder	pith-number-builder-2026-05-17-v1
Signature	Pith Ed25519 (`pith-v1-2026-05`) · public key
Schema	pith-number/v1.0

Canonical hash

897aa7c46f7d606d1ede5b47bcc5cebb7b39e57fb49e2834f7bc1ff04c9297a7

Aliases

arxiv: 2604.18189 · arxiv_version: 2604.18189v2 · doi: 10.48550/arxiv.2604.18189 · pith_short_12: RF5KPRDPPVQG · pith_short_16: RF5KPRDPPVQG2HW6 · pith_short_8: RF5KPRDP

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Verify this Pith Number yourself

curl -sH 'Accept: application/ld+json' https://pith.science/pith/RF5KPRDPPVQG2HW6LND3ZROOXN \
  | jq -c '.canonical_record' \
  | python3 -c "import sys,json,hashlib; b=json.dumps(json.loads(sys.stdin.read()), sort_keys=True, separators=(',',':'), ensure_ascii=False).encode(); print(hashlib.sha256(b).hexdigest())"
# expect: 897aa7c46f7d606d1ede5b47bcc5cebb7b39e57fb49e2834f7bc1ff04c9297a7

Canonical record JSON

{
  "metadata": {
    "abstract_canon_sha256": "ba06946cd4c2e3672be45900980fc9535e210ec8de35f9e2bc451b52b377d215",
    "cross_cats_sorted": [
      "cond-mat.soft"
    ],
    "license": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
    "primary_cat": "cond-mat.stat-mech",
    "submitted_at": "2026-04-20T12:44:51Z",
    "title_canon_sha256": "6ee30ec085c94bca194c013a79b6cf2f76988621e53fad4af8529424eb6314ed"
  },
  "schema_version": "1.0",
  "source": {
    "id": "2604.18189",
    "kind": "arxiv",
    "version": 2
  }
}