cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.3535/31b-929-gk2
title: Enargia paleacea (Esper, 1788)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/r4s-vlk-s26
title: Enargia paleacea (Esper, 1788)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/yzk-47r-twf
title: Sciota hostilis Stephens, 1834

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/b69-x4m-m2m
title: Furcula bifida (Brahm, 1787)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/twy-p16-95a
title: Apamea (Apamea) sordens (Hufnagel, 1766)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/va3-3zm-5fy
title: Eupithecia vulgata (Haworth, 1809)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/57w-twm-5xh
title: Evergestis aenealis [Denis & Schiffermüller], 1775

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/ecy-mr9-m7e
title: Elophila nymphaeata Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/7bn-368-ajx
title: Oligia latruncula ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/g0k-h5v-bxr
title: Furcula bifida (Brahm, 1787)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/c7d-mca-yke
title: Loxostege commixtalis Walker, 1865

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/a5t-k9n-3yx
title: Scoparia pyralella Hübner, 1796

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/b2c-rtt-0m6
title: Loxostege commixtalis Walker, 1865

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/w52-3jg-awe
title: Calophasia lunula Hufnagel, 1766

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/bzn-al0-mna
title: Loxostege commixtalis Walker, 1865

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/hb3-185-btj
title: Boloria selene ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/5dk-5mr-5rm
title: Calophasia lunula Hufnagel, 1766

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/kfp-l3s-6fj
title: Melitaea athalia von Rottemburg, 1775

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/ea1-6tj-k72
title: Pterostoma palpina (Clerck, 1759)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/zpe-t8p-yqs
title: Coenonympha pamphilus (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/f55-eqc-d5y
title: Ectropis crepuscularia ([Denis & Schiffermüller], 1771)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/yln-r3r-ep8
title: Arenostola phragmitidis Hübner, 1803

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/5k9-pma-ptr
title: Apamea (Apamea) monoglypha (Hufnagel, 1766)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/004-9he-ly2
title: Elophila nymphaeata Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/pnp-zq0-qt8
title: Boloria selene ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/5js-n28-zcc
title: Evergestis aenealis [Denis & Schiffermüller], 1775

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/f80-4am-had
title: Elophila nymphaeata Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/10h-9z3-8yv
title: Calophasia lunula Hufnagel, 1766

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/2xb-dv0-pxv
title: Hoplodrina blanda ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/ygr-syc-zp5
title: Pyrgus alveus (Hübner, 1802)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/byg-faj-px6
title: Lygephila (Lygephila) pastinum Treitschke, 1826

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/krd-qm2-qsk
title: Crambus nemorella Hübner

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/jhf-9kt-gn9
title: Crambus perlellus Scopoli, 1763

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/340-1wk-yf6
title: Crambus alienellus Zincken, 1817

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/pn9-gzx-xx2
title: Lygephila (Lygephila) pastinum Treitschke, 1826

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/0cl-thg-xa0
title: Boloria selene ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/2b1-m3h-lsj
title: Boloria selene ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/fb9-cng-w1t
title: Anania Hübner, 1823

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/g81-p2z-ll1
title: Cerapteryx graminis Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/bbq-t0d-6mk
title: Diarsia brunnea [Denis & Schiffermüller], 1775

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/ffw-jqz-z5w
title: Colostygia olivata ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/r0n-dvk-hqv
title: Crambus alienellus Zincken, 1817

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/m31-x1p-356
title: Sympistis heliophila Paykull, 1793

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/4pj-2vh-w64
title: Sympistis heliophila Paykull, 1793

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/2mv-zzg-vkh
title: Hoplodrina blanda ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/gwz-xyy-yjr
title: Hypenodes humidalis Doubleday, 1850

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/9sr-25t-8a3
title: Agrochola (Sunira) Franclemont, 1950

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/wcl-2rb-eyb
title: Euxoa (Euxoa) nigricans Linnaeus, 1761

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/j3d-1ae-18v
title: Lygephila (Lygephila) pastinum Treitschke, 1826

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/5hk-avn-tae
title: Oligia latruncula ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/mcc-dgq-091
title: Boloria selene ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/8tq-qkj-09c
title: Ammoconia caecimacula [Denis & Schiffermüller], 1775

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/a2e-zle-75n
title: Craniophora ligustri ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/byn-1wh-rcm
title: Pyrgus alveus (Hübner, 1802)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/7m7-qaa-q54
title: Euxoa (Euxoa) nigricans Linnaeus, 1761

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/1a2-4fh-m16
title: Caradrina (Caradrina) morpheus (Hufnagel, 1766)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/w63-3hs-er9
title: Caradrina (Caradrina) morpheus (Hufnagel, 1766)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/h9n-sqc-sx3
title: Boloria selene ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/qny-5wv-3ps
title: Boloria selene ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.5281/zenodo.17841633
title: Data for "Urban black-carbon radiative heating intensified by biogenic-anthropogenic interactions"

description: Data for "Urban black-carbon radiative heating intensified by biogenic-anthropogenic interactions" by Zhang et al. (NG)
DOI: 10.5281/zenodo.17841634
title: Data for "Urban black-carbon radiative heating intensified by biogenic-anthropogenic interactions"

description: Data for "Urban black-carbon radiative heating intensified by biogenic-anthropogenic interactions" by Zhang et al. (NG)
DOI: 10.15468/dl.fj4yph
title: Occurrence Download

description: A dataset containing 84 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Gymnothorax conspersus"
 ]
}

 The dataset includes 84 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0033838-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/6jy-c42-jxp
title: Furcula bifida (Brahm, 1787)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/l2p-yap-lq2
title: Lasionycta Aurivillius, 1892

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/j5p-fks-76c
title: Sympistis heliophila Paykull, 1793

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/0g9-9hn-cv2
title: Mesapamea secalis (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/lna-sa1-f5k
title: Lacanobia (Dianobia) thalassina Hufnagel, 1766

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/n9h-sk9-egh
title: Sympistis heliophila Paykull, 1793

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/188-t7d-8sx
title: Sympistis heliophila Paykull, 1793

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/e66-hff-ce9
title: Autographa Hübner, 1821

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/46t-b1b-7cn
title: Scoparia pyralella Hübner, 1796

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/rbp-d5f-f8h
title: Craniophora ligustri ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/h1q-vnf-ynv
title: Mesapamea Heinicke, 1959

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/lqx-pb1-1al
title: Chrysoteuchia culmella Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/3yt-ysc-352
title: Furcula bifida (Brahm, 1787)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/7sq-k26-mfy
title: Sympistis heliophila Paykull, 1793

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/2l1-jm5-eec
title: Sympistis heliophila Paykull, 1793

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/hmk-ck6-nk1
title: Chrysoteuchia culmella Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/qlh-15f-g7p
title: Scoparia pyralella Hübner, 1796

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.15468/dl.v2wf6n
title: Occurrence Download

description: A dataset containing 1151 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Gymnothorax chilospilus"
 ]
}

 The dataset includes 1151 records from 69 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0033837-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/btp-gmr-b00
title: Sympistis heliophila Paykull, 1793

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/x6c-z7m-25n
title: Apamea (Apamea) sordens (Hufnagel, 1766)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/80g-wa1-nlh
title: Lacanobia (Dianobia) thalassina Hufnagel, 1766

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/tyn-pzj-qsx
title: Noctua fimbriata Schreber, 1759

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/85y-sd0-2ey
title: Autographa Hübner, 1821

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/yzg-tqk-m83
title: Aplocera praeformata (Hübner, [1826])

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/7k0-4sy-x58
title: Ephestia kuehniella Zeller, 1879

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.15468/dl.uxewnt
title: Occurrence Download

description: A dataset containing 5891 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Planchonella yunnanensis, Sinowilsonia henryi, Skimmia arborescens, Skimmia japonica, Skimmia melanocarpa)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 5891 records from 143 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0033836-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/4mg-mwa-mj6
title: Aplocera praeformata (Hübner, [1826])

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/lq7-fvr-pks
title: Coenonympha pamphilus (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/f2h-3aa-b09
title: Noctua pronuba Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/sx0-z7b-54b
title: Apamea (Apamea) sordens (Hufnagel, 1766)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/55q-45z-jp2
title: Sympistis funebris Hübner

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/1hq-1rk-mea
title: Agrochola (Sunira) Franclemont, 1950

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/v5a-x9t-hj2
title: Ammoconia caecimacula [Denis & Schiffermüller], 1775

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/jlq-me0-wrz
title: Dioryctria mutatella Fuchs, 1903

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/vrn-7d6-5n5
title: Chrysoteuchia culmella Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/ql2-m02-m88
title: Phragmatobia fuliginosa (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/0q8-2k0-qbt
title: Sympistis heliophila Paykull, 1793

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/l4x-9q9-q94
title: Cerapteryx graminis Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/1aq-mql-e8m
title: Erebidae

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/l3y-6nq-p7x
title: Crambus alienellus Zincken, 1817

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/cd8-pk7-be6
title: Autographa Hübner, 1821

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/nya-18h-m0y
title: Hoplodrina blanda ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/qr3-a59-ewa
title: Lacanobia (Dianobia) thalassina Hufnagel, 1766

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/r9p-g26-v2d
title: Ortholepis Ragonot, 1887

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/wfl-xnc-nh5
title: Cerapteryx graminis Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.15468/dl.evshyz
title: Occurrence Download

description: A dataset containing 18100 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Gymnothorax vicinus"
 ]
}

 The dataset includes 18100 records from 114 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0033839-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/btg-9dv-wfc
title: Scoparia pyralella Hübner, 1796

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/jkm-a2w-qvq
title: Coenonympha pamphilus (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/0pa-0a0-a2f
title: Acronicta (Viminia) rumicis Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/9ha-t1z-dlx
title: Oncocera Stephens, 1829

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.5281/zenodo.17841587
title: Morse Interatomic Potential for High-Entropy Alloy System Co-Cr-Fe-Ni-Mn-Al (LAMMPS format)

description: Dataset Description

This dataset contains parameters for pairwise Morse interatomic potentials developed for the 6-element system: Co-Cr-Fe-Mn-Ni-Al.

Optimization Strategy and Applicability:

The potential parameters were fitted to reproduce the following properties:



Pure Elements: Lattice parameters and cohesive energies for all pure components, including pure Aluminum (Al) and the transition metals (Co, Cr, Fe, Mn, Ni).

Cantor Alloy: Structural properties of the equiatomic quinary CoCrFeMnNi high-entropy alloy (FCC phase).


Intended Use:The primary purpose of this potential is to simulate the deposition of CoCrFeMnNi thin films onto an Aluminum substrate. It accurately describes the metallic matrix of the Cantor alloy and the bulk properties of the Al substrate.

Limitation Note:The cross-interaction parameters involving Aluminum (Al-X pairs) were derived using standard combination rules. The potential was not explicitly fitted to experimental data of the bulk 6-component Co-Cr-Fe-Mn-Ni-Al alloy (due to the lack of reference data for this specific system). Therefore, users should exercise caution when simulating phase transformations or mixing enthalpies in bulk Al-containing HEAs.

Files included:



CoCrFeNiMnAl_morse.txt: The potential parameters file for LAMMPS.

in.test.txt:Test script

README.txt: Instructions for use.


NIST Repository Indexing:This potential is officially indexed in the NIST Interatomic Potentials Repository (IPR).
DOI: 10.3535/0vr-9jh-rbf
title: Phalera (Phalera) bucephala (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/f6z-vpk-2b5
title: Autographa Hübner, 1821

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.5281/zenodo.17841586
title: Morse Interatomic Potential for High-Entropy Alloy System Co-Cr-Fe-Ni-Mn-Al (LAMMPS format)

description: Dataset Description

This dataset contains parameters for pairwise Morse interatomic potentials developed for the 6-element system: Co-Cr-Fe-Mn-Ni-Al.

Optimization Strategy and Applicability:

The potential parameters were fitted to reproduce the following properties:



Pure Elements: Lattice parameters and cohesive energies for all pure components, including pure Aluminum (Al) and the transition metals (Co, Cr, Fe, Mn, Ni).

Cantor Alloy: Structural properties of the equiatomic quinary CoCrFeMnNi high-entropy alloy (FCC phase).


Intended Use:The primary purpose of this potential is to simulate the deposition of CoCrFeMnNi thin films onto an Aluminum substrate. It accurately describes the metallic matrix of the Cantor alloy and the bulk properties of the Al substrate.

Limitation Note:The cross-interaction parameters involving Aluminum (Al-X pairs) were derived using standard combination rules. The potential was not explicitly fitted to experimental data of the bulk 6-component Co-Cr-Fe-Mn-Ni-Al alloy (due to the lack of reference data for this specific system). Therefore, users should exercise caution when simulating phase transformations or mixing enthalpies in bulk Al-containing HEAs.

Files included:



CoCrFeNiMnAl_morse.txt: The potential parameters file for LAMMPS.

in.test.txt:Test script

README.txt: Instructions for use.


NIST Repository Indexing:This potential is officially indexed in the NIST Interatomic Potentials Repository (IPR).