{"id":1624,"date":"2021-07-16T08:04:05","date_gmt":"2021-07-16T08:04:05","guid":{"rendered":"http:\/\/tribchem.it\/?page_id=1624"},"modified":"2025-07-24T14:42:19","modified_gmt":"2025-07-24T14:42:19","slug":"solid-homogeneous-interfaces","status":"publish","type":"page","link":"https:\/\/tribchem.it\/?page_id=1624","title":{"rendered":"Solid homogeneous interfaces"},"content":{"rendered":"\t\t<div data-elementor-type=\"wp-page\" data-elementor-id=\"1624\" class=\"elementor elementor-1624\">\n\t\t\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-0066bc3 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"0066bc3\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-ff938d9\" data-id=\"ff938d9\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-a517f49 elementor-widget elementor-widget-text-editor\" data-id=\"a517f49\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t\t\t<!DOCTYPE html>\n<html>\n<head>\n  <style>\n    body {\n      margin: 2rem;\n    }\n    h1 {\n      text-align: center;\n      margin-bottom: 2rem;\n    }\n    table {\n      width: 100%;\n      font-size: 0.9rem;\n      border-collapse: collapse;\n    }\n    th, td {\n      text-align: center;\n      padding: 0.5rem;\n      border-bottom: 1px solid #ccc;\n    }\n    th {\n      font-weight: bold;\n    }\n    tr:nth-child(even) {\n      background-color: #f9f9f9;\n    }\n  <\/style>\n<h1 style=\"text-align: center;\"><span style=\"font-size: 24pt;\">SURFACE ENERGIES<sup>a<\/sup><\/span><\/h1>\n<table style=\"width: 93.7443%;\">\n<thead>\n<tr>\n<th style=\"width: 12.9204%;\">Element<\/th>\n<th style=\"width: 22.1239%;\">Crystal System<\/th>\n<th style=\"width: 21.5929%;\">(100) \u03b3 (J\/m\u00b2)<\/th>\n<th style=\"width: 20.885%;\">(110) \u03b3 (J\/m\u00b2)<\/th>\n<th style=\"width: 20.354%;\">(111) \u03b3 (J\/m\u00b2)<\/th>\n<\/tr>\n<\/thead>\n<tbody>\n<tr>\n<td style=\"width: 12.9204%;\">Li<\/td>\n<td style=\"width: 22.1239%;\">bcc<\/td>\n<td style=\"width: 21.5929%;\">0.42<\/td>\n<td style=\"width: 20.885%;\">0.46<\/td>\n<td style=\"width: 20.354%;\">0.52<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Be<\/td>\n<td style=\"width: 22.1239%;\">hcp<\/td>\n<td style=\"width: 21.5929%;\">\/<\/td>\n<td style=\"width: 20.885%;\">\/<\/td>\n<td style=\"width: 20.354%;\">2.01<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Na<\/td>\n<td style=\"width: 22.1239%;\">bcc<\/td>\n<td style=\"width: 21.5929%;\">0.2<\/td>\n<td style=\"width: 20.885%;\">0.2<\/td>\n<td style=\"width: 20.354%;\">0.24<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Mg<\/td>\n<td style=\"width: 22.1239%;\">hcp<\/td>\n<td style=\"width: 21.5929%;\">\/<\/td>\n<td style=\"width: 20.885%;\"><\/td>\n<td style=\"width: 20.354%;\">0.43<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Al<\/td>\n<td style=\"width: 22.1239%;\">fcc<\/td>\n<td style=\"width: 21.5929%;\">0.92<\/td>\n<td style=\"width: 20.885%;\">1.06<\/td>\n<td style=\"width: 20.354%;\">0.76<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Si<\/td>\n<td style=\"width: 22.1239%;\">dia<\/td>\n<td style=\"width: 21.5929%;\">2.28<\/td>\n<td style=\"width: 20.885%;\">1.63<\/td>\n<td style=\"width: 20.354%;\">1.66<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">K<\/td>\n<td style=\"width: 22.1239%;\">bcc<\/td>\n<td style=\"width: 21.5929%;\">0.1<\/td>\n<td style=\"width: 20.885%;\">0.1<\/td>\n<td style=\"width: 20.354%;\">0.13<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Ca<\/td>\n<td style=\"width: 22.1239%;\">fcc<\/td>\n<td style=\"width: 21.5929%;\">0.46<\/td>\n<td style=\"width: 20.885%;\">0.54<\/td>\n<td style=\"width: 20.354%;\">0.48<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Sc<\/td>\n<td style=\"width: 22.1239%;\">hcp<\/td>\n<td style=\"width: 21.5929%;\">\/<\/td>\n<td style=\"width: 20.885%;\">\/<\/td>\n<td style=\"width: 20.354%;\">1.29<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Ti<\/td>\n<td style=\"width: 22.1239%;\">hcp<\/td>\n<td style=\"width: 21.5929%;\">\/<\/td>\n<td style=\"width: 20.885%;\">\/<\/td>\n<td style=\"width: 20.354%;\">1.90<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">V<\/td>\n<td style=\"width: 22.1239%;\">bcc<\/td>\n<td style=\"width: 21.5929%;\">2.44<\/td>\n<td style=\"width: 20.885%;\">2.42<\/td>\n<td style=\"width: 20.354%;\">2.71<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Cr<\/td>\n<td style=\"width: 22.1239%;\">bcc<\/td>\n<td style=\"width: 21.5929%;\">3.54<\/td>\n<td style=\"width: 20.885%;\">3.18<\/td>\n<td style=\"width: 20.354%;\">3.5<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Fe<\/td>\n<td style=\"width: 22.1239%;\">bcc<\/td>\n<td style=\"width: 21.5929%;\">2.5<\/td>\n<td style=\"width: 20.885%;\">2.48<\/td>\n<td style=\"width: 20.354%;\">2.72<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Co<\/td>\n<td style=\"width: 22.1239%;\">hpc<\/td>\n<td style=\"width: 21.5929%;\">\/<\/td>\n<td style=\"width: 20.885%;\">\/<\/td>\n<td style=\"width: 20.354%;\">2.15<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Ni<\/td>\n<td style=\"width: 22.1239%;\">fcc<\/td>\n<td style=\"width: 21.5929%;\">2.23<\/td>\n<td style=\"width: 20.885%;\">2.28<\/td>\n<td style=\"width: 20.354%;\">1.92<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Cu<\/td>\n<td style=\"width: 22.1239%;\">fcc<\/td>\n<td style=\"width: 21.5929%;\">1.34<\/td>\n<td style=\"width: 20.885%;\">1.45<\/td>\n<td style=\"width: 20.354%;\">1.19<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Zn<\/td>\n<td style=\"width: 22.1239%;\">hcp<\/td>\n<td style=\"width: 21.5929%;\">\/<\/td>\n<td style=\"width: 20.885%;\">\/<\/td>\n<td style=\"width: 20.354%;\">0.34<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Ge<\/td>\n<td style=\"width: 22.1239%;\">dia<\/td>\n<td style=\"width: 21.5929%;\">1.4<\/td>\n<td style=\"width: 20.885%;\">1.19<\/td>\n<td style=\"width: 20.354%;\">1.1<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Rb<\/td>\n<td style=\"width: 22.1239%;\">bcc<\/td>\n<td style=\"width: 21.5929%;\">0.08<\/td>\n<td style=\"width: 20.885%;\">0.07<\/td>\n<td style=\"width: 20.354%;\">0.09<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Sr<\/td>\n<td style=\"width: 22.1239%;\">fcc<\/td>\n<td style=\"width: 21.5929%;\">0.34<\/td>\n<td style=\"width: 20.885%;\">0.4<\/td>\n<td style=\"width: 20.354%;\">0.34<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Y<\/td>\n<td style=\"width: 22.1239%;\">hcp<\/td>\n<td style=\"width: 21.5929%;\">\/<\/td>\n<td style=\"width: 20.885%;\">\/<\/td>\n<td style=\"width: 20.354%;\">1.0<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Zr<\/td>\n<td style=\"width: 22.1239%;\">hcp<\/td>\n<td style=\"width: 21.5929%;\">\/<\/td>\n<td style=\"width: 20.885%;\">\/<\/td>\n<td style=\"width: 20.354%;\">1.59<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Nb<\/td>\n<td style=\"width: 22.1239%;\">bcc<\/td>\n<td style=\"width: 21.5929%;\">2.36<\/td>\n<td style=\"width: 20.885%;\">2.08<\/td>\n<td style=\"width: 20.354%;\">2.39<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Mo<\/td>\n<td style=\"width: 22.1239%;\">bcc<\/td>\n<td style=\"width: 21.5929%;\">3.12<\/td>\n<td style=\"width: 20.885%;\">2.78<\/td>\n<td style=\"width: 20.354%;\">3.14<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Ru<\/td>\n<td style=\"width: 22.1239%;\">hcp<\/td>\n<td style=\"width: 21.5929%;\">\/<\/td>\n<td style=\"width: 20.885%;\">\/<\/td>\n<td style=\"width: 20.354%;\">2.56<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Rh<\/td>\n<td style=\"width: 22.1239%;\">fcc<\/td>\n<td style=\"width: 21.5929%;\">2.34<\/td>\n<td style=\"width: 20.885%;\">2.34<\/td>\n<td style=\"width: 20.354%;\">2.0<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Pd<\/td>\n<td style=\"width: 22.1239%;\">fcc<\/td>\n<td style=\"width: 21.5929%;\">1.56<\/td>\n<td style=\"width: 20.885%;\">1.66<\/td>\n<td style=\"width: 20.354%;\">1.34<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Ag<\/td>\n<td style=\"width: 22.1239%;\">fcc<\/td>\n<td style=\"width: 21.5929%;\">0.86<\/td>\n<td style=\"width: 20.885%;\">0.93<\/td>\n<td style=\"width: 20.354%;\">0.78<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Cd<\/td>\n<td style=\"width: 22.1239%;\">hcp<\/td>\n<td style=\"width: 21.5929%;\">\/<\/td>\n<td style=\"width: 20.885%;\">\/<\/td>\n<td style=\"width: 20.354%;\">0.2<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Sn<\/td>\n<td style=\"width: 22.1239%;\">dia<\/td>\n<td style=\"width: 21.5929%;\">0.88<\/td>\n<td style=\"width: 20.885%;\">0.63<\/td>\n<td style=\"width: 20.354%;\">0.61<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Cs<\/td>\n<td style=\"width: 22.1239%;\">bcc<\/td>\n<td style=\"width: 21.5929%;\">0.07<\/td>\n<td style=\"width: 20.885%;\">0.06<\/td>\n<td style=\"width: 20.354%;\">0.08<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Ba<\/td>\n<td style=\"width: 22.1239%;\">bcc<\/td>\n<td style=\"width: 21.5929%;\">0.31<\/td>\n<td style=\"width: 20.885%;\">0.31<\/td>\n<td style=\"width: 20.354%;\">0.4<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Ce<\/td>\n<td style=\"width: 22.1239%;\">hcp<\/td>\n<td style=\"width: 21.5929%;\">0.74<\/td>\n<td style=\"width: 20.885%;\">0.84<\/td>\n<td style=\"width: 20.354%;\">0.73<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Eu<\/td>\n<td style=\"width: 22.1239%;\">bcc<\/td>\n<td style=\"width: 21.5929%;\">0.44<\/td>\n<td style=\"width: 20.885%;\">0.5<\/td>\n<td style=\"width: 20.354%;\">0.45<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Yb<\/td>\n<td style=\"width: 22.1239%;\">fcc<\/td>\n<td style=\"width: 21.5929%;\">0.42<\/td>\n<td style=\"width: 20.885%;\">0.48<\/td>\n<td style=\"width: 20.354%;\">0.42<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Hf<\/td>\n<td style=\"width: 22.1239%;\">hcp<\/td>\n<td style=\"width: 21.5929%;\">\/<\/td>\n<td style=\"width: 20.885%;\">\/<\/td>\n<td style=\"width: 20.354%;\">1.72<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Ta<\/td>\n<td style=\"width: 22.1239%;\">bcc<\/td>\n<td style=\"width: 21.5929%;\">2.54<\/td>\n<td style=\"width: 20.885%;\">2.36<\/td>\n<td style=\"width: 20.354%;\">2.72<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">W<\/td>\n<td style=\"width: 22.1239%;\">bcc<\/td>\n<td style=\"width: 21.5929%;\">3.9<\/td>\n<td style=\"width: 20.885%;\">3.19<\/td>\n<td style=\"width: 20.354%;\">3.46<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Re<\/td>\n<td style=\"width: 22.1239%;\">hcp<\/td>\n<td style=\"width: 21.5929%;\">\/<\/td>\n<td style=\"width: 20.885%;\">\/<\/td>\n<td style=\"width: 20.354%;\">2.62<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Os<\/td>\n<td style=\"width: 22.1239%;\">hcp<\/td>\n<td style=\"width: 21.5929%;\">\/<\/td>\n<td style=\"width: 20.885%;\">\/<\/td>\n<td style=\"width: 20.354%;\">2.92<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Ir<\/td>\n<td style=\"width: 22.1239%;\">fcc<\/td>\n<td style=\"width: 21.5929%;\">2.84<\/td>\n<td style=\"width: 20.885%;\">2.86<\/td>\n<td style=\"width: 20.354%;\">2.3<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Pt<\/td>\n<td style=\"width: 22.1239%;\">fcc<\/td>\n<td style=\"width: 21.5929%;\">1.86<\/td>\n<td style=\"width: 20.885%;\">1.96<\/td>\n<td style=\"width: 20.354%;\">1.5<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Au<\/td>\n<td style=\"width: 22.1239%;\">fcc<\/td>\n<td style=\"width: 21.5929%;\">0.87<\/td>\n<td style=\"width: 20.885%;\">0.9<\/td>\n<td style=\"width: 20.354%;\">0.7<\/td>\n<\/tr>\n<tr>\n<td style=\"width: 12.9204%;\">Pb<\/td>\n<td style=\"width: 22.1239%;\">fcc<\/td>\n<td style=\"width: 21.5929%;\">0.26<\/td>\n<td style=\"width: 20.885%;\">0.39<\/td>\n<td style=\"width: 20.354%;\">0.25<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-d6e580a elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"d6e580a\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-e8276f3\" data-id=\"e8276f3\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-6f4e4f1 elementor-widget elementor-widget-text-editor\" data-id=\"6f4e4f1\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t\t\t<span style=\"font-family: verdana, geneva, sans-serif; color: #000000;\"><sup>a<\/sup> The surface energies were computed employing the software Triboflow. Further details on its features can be found in Ref. [1]. The density functional theory calculations were performed using Quantum ESPRESSO [2]. For the hcp crystals the considered surface orientation is the (0001).\n<\/span>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-fb41430 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"fb41430\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-c08b42e\" data-id=\"c08b42e\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-0047d25 elementor-widget elementor-widget-text-editor\" data-id=\"0047d25\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t\t\t<!DOCTYPE html>\n<html>\n<head>\n  <style>\n    body {\n      margin: 2rem;\n    }\n    h1 {\n      text-align: center;\n      margin-bottom: 2rem;\n    }\n    table {\n      width: 100%;\n      font-size: 0.9rem;\n      border-collapse: collapse;\n    }\n    th, td {\n      text-align: center;\n      padding: 0.5rem;\n      border-bottom: 1px solid #ccc;\n    }\n    th {\n      font-weight: bold;\n    }\n    tr:nth-child(even) {\n      background-color: #f9f9f9;\n    }\n  <\/style>\n<h1 style=\"text-align: center;\"><span style=\"font-size: 24pt;\">SURFACE ENERGIES<sup>b<\/sup><\/span><\/h1>\n<table>\n<thead>\n<tr>\n<th>Element<\/th>\n<th>Orientation<\/th>\n<th>Kinetic energy cutoff (eV)<\/th>\n<th>K-points per unit length (\u00c5\u207b\u00b9)<\/th>\n<th>Optimal number of layers<\/th>\n<th>Surface Energy (J\/m\u00b2)<\/th>\n<\/tr>\n<\/thead>\n<tbody>\n<tr>\n<td>Ag<\/td>\n<td>[1,1,1]<\/td>\n<td>300<\/td>\n<td>4.2<\/td>\n<td>3<\/td>\n<td>0.75<\/td>\n<\/tr>\n<tr>\n<td>Al<\/td>\n<td>[1,1,1]<\/td>\n<td>275<\/td>\n<td>6.4<\/td>\n<td>6<\/td>\n<td>0.83<\/td>\n<\/tr>\n<tr>\n<td>Au<\/td>\n<td>[1,1,1]<\/td>\n<td>275<\/td>\n<td>5<\/td>\n<td>7<\/td>\n<td>0.72<\/td>\n<\/tr>\n<tr>\n<td>Be<\/td>\n<td>[0,0,1]<\/td>\n<td>300<\/td>\n<td>4.6<\/td>\n<td>7<\/td>\n<td>1.82<\/td>\n<\/tr>\n<tr>\n<td>Ca<\/td>\n<td>[1,1,1]<\/td>\n<td>300<\/td>\n<td>3.6<\/td>\n<td>12<\/td>\n<td>0.49<\/td>\n<\/tr>\n<tr>\n<td>Cd<\/td>\n<td>[0,0,1]<\/td>\n<td>275<\/td>\n<td>6.3<\/td>\n<td>12<\/td>\n<td>0.19<\/td>\n<\/tr>\n<tr>\n<td>Co<\/td>\n<td>[0,0,1]<\/td>\n<td>300<\/td>\n<td>3.5<\/td>\n<td>14<\/td>\n<td>2.12<\/td>\n<\/tr>\n<tr>\n<td>Cr<\/td>\n<td>[1,1,0]<\/td>\n<td>300<\/td>\n<td>3.7<\/td>\n<td>6<\/td>\n<td>3.20<\/td>\n<\/tr>\n<tr>\n<td>Cu<\/td>\n<td>[1,1,1]<\/td>\n<td>375<\/td>\n<td>3.7<\/td>\n<td>6<\/td>\n<td>1.34<\/td>\n<\/tr>\n<tr>\n<td>Fe<\/td>\n<td>[1,1,0]<\/td>\n<td>325<\/td>\n<td>3.9<\/td>\n<td>3<\/td>\n<td>2.50<\/td>\n<\/tr>\n<tr>\n<td>Ga<\/td>\n<td>[1,0,0]<\/td>\n<td>250<\/td>\n<td>3.7<\/td>\n<td>13<\/td>\n<td>0.49<\/td>\n<\/tr>\n<tr>\n<td>Ge<\/td>\n<td>[1,1,1]<\/td>\n<td>275<\/td>\n<td>4.8<\/td>\n<td>6<\/td>\n<td>1.82<\/td>\n<\/tr>\n<tr>\n<td>In<\/td>\n<td>[1,0,0]<\/td>\n<td>250<\/td>\n<td>4.1<\/td>\n<td>14<\/td>\n<td>0.35<\/td>\n<\/tr>\n<tr>\n<td>Ir<\/td>\n<td>[1,1,1]<\/td>\n<td>225<\/td>\n<td>7.5<\/td>\n<td>3<\/td>\n<td>2.29<\/td>\n<\/tr>\n<tr>\n<td>K<\/td>\n<td>[1,1,0]<\/td>\n<td>275<\/td>\n<td>5.4<\/td>\n<td>4<\/td>\n<td>0.11<\/td>\n<\/tr>\n<tr>\n<td>Li<\/td>\n<td>[1,1,0]<\/td>\n<td>525<\/td>\n<td>4.7<\/td>\n<td>4<\/td>\n<td>0.49<\/td>\n<\/tr>\n<tr>\n<td>Mg<\/td>\n<td>[0,0,1]<\/td>\n<td>400<\/td>\n<td>6.2<\/td>\n<td>3<\/td>\n<td>0.56<\/td>\n<\/tr>\n<tr>\n<td>Mo<\/td>\n<td>[1,1,0]<\/td>\n<td>250<\/td>\n<td>5.7<\/td>\n<td>4<\/td>\n<td>2.80<\/td>\n<\/tr>\n<tr>\n<td>Na<\/td>\n<td>[1,1,0]<\/td>\n<td>300<\/td>\n<td>5.2<\/td>\n<td>8<\/td>\n<td>0.22<\/td>\n<\/tr>\n<tr>\n<td>Nb<\/td>\n<td>[1,1,0]<\/td>\n<td>200<\/td>\n<td>5.3<\/td>\n<td>13<\/td>\n<td>2.09<\/td>\n<\/tr>\n<tr>\n<td>Ni<\/td>\n<td>[1,1,1]<\/td>\n<td>400<\/td>\n<td>3.3<\/td>\n<td>3<\/td>\n<td>1.93<\/td>\n<\/tr>\n<tr>\n<td>Pb<\/td>\n<td>[1,1,1]<\/td>\n<td>250<\/td>\n<td>6.1<\/td>\n<td>3<\/td>\n<td>0.22<\/td>\n<\/tr>\n<tr>\n<td>Pt<\/td>\n<td>[1,1,1]<\/td>\n<td>250<\/td>\n<td>5.9<\/td>\n<td>4<\/td>\n<td>1.49<\/td>\n<\/tr>\n<tr>\n<td>Rh<\/td>\n<td>[1,1,1]<\/td>\n<td>275<\/td>\n<td>4.3<\/td>\n<td>3<\/td>\n<td>2.03<\/td>\n<\/tr>\n<tr>\n<td>Sc<\/td>\n<td>[0,0,1]<\/td>\n<td>250<\/td>\n<td>3.7<\/td>\n<td>8<\/td>\n<td>1.20<\/td>\n<\/tr>\n<tr>\n<td>Se<\/td>\n<td>[0,0,1]<\/td>\n<td>225<\/td>\n<td>3.5<\/td>\n<td>5<\/td>\n<td>0.41<\/td>\n<\/tr>\n<tr>\n<td>Si<\/td>\n<td>[1,1,1]<\/td>\n<td>225<\/td>\n<td>3.6<\/td>\n<td>4<\/td>\n<td>2.74<\/td>\n<\/tr>\n<tr>\n<td>Ta<\/td>\n<td>[1,1,0]<\/td>\n<td>200<\/td>\n<td>5.7<\/td>\n<td>4<\/td>\n<td>2.36<\/td>\n<\/tr>\n<tr>\n<td>Ti<\/td>\n<td>[0,0,1]<\/td>\n<td>250<\/td>\n<td>3.3<\/td>\n<td>15<\/td>\n<td>1.99<\/td>\n<\/tr>\n<tr>\n<td>V<\/td>\n<td>[1,1,0]<\/td>\n<td>300<\/td>\n<td>5.1<\/td>\n<td>4<\/td>\n<td>2.41<\/td>\n<\/tr>\n<tr>\n<td>W<\/td>\n<td>[1,1,0]<\/td>\n<td>225<\/td>\n<td>7.9<\/td>\n<td>4<\/td>\n<td>3.25<\/td>\n<\/tr>\n<tr>\n<td>Zn<\/td>\n<td>[0,0,1]<\/td>\n<td>275<\/td>\n<td>5.5<\/td>\n<td>2<\/td>\n<td>0.31<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-b0d65fe elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"b0d65fe\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-63f77f7\" data-id=\"63f77f7\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-b8439e4 elementor-widget elementor-widget-text-editor\" data-id=\"b8439e4\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t\t\t<p><span style=\"font-family: verdana, geneva, sans-serif; color: #000000;\"> <sup>b <\/sup>The surface energies [3] were computed employing the software <a href=\"https:\/\/tribchem.it\/?page_id=1663\">TribChem<\/a>. Further details on its features can be found in Ref. [4]. TribChem is an evolution of Triboflow and the density functional theory calculations were performed using VASP. The optimal number of layers are obtained by converging the surface energy according to the Fiorentini Methfessel procedure proposed in Ref. [5]. Namely, for increasing number of layers <em>N<\/em>, surface energies are extracted, and converged, from the linear fit of the relation <em>E<sub>slab<\/sub> (N)=2 A \u03b3 + N E<sub>bulk<\/sub><\/em>, where <em>E<sub>slab<\/sub><\/em> is the <em>N<\/em>-layer slab total energy, <em>E<sub>bulk<\/sub><\/em> is the total energy of the bulk (calculated using the same 2D cell used for the surface calculation), and <em>A<\/em> is the slab unit cell area.<br \/><\/span><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-83b1b6d elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"83b1b6d\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-b5fff76\" data-id=\"b5fff76\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-0a06617 elementor-widget elementor-widget-text-editor\" data-id=\"0a06617\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t\t\t<p><span style=\"font-family: verdana, geneva, sans-serif; color: #000000;\">References:<\/span><\/p><p><span style=\"font-family: verdana, geneva, sans-serif; color: #000000;\">[1] P. Restuccia, G. Levita, M. Wolloch, G. Losi, G. Fatti, M. Ferrario, M.C. Righi, Ideal adhesive and shear strengths of solid interfaces: A high throughput ab initio approach, <em>Computational Materials Science<\/em> <strong>154<\/strong> 517 (2018). DOI: <a href=\"https:\/\/doi.org\/10.1016\/j.commatsci.2018.08.006\"><span style=\"text-decoration: underline;\">10.1016\/j.commatsci.2018.08.006<\/span><\/a>.<br \/>[2] M. Wolloch, G. Losi, M. Ferrario, M. C. Righi, High-throughput screening of the static friction and ideal cleavage strength of solid interfaces, <em>Scientific Reports<\/em> <strong>9<\/strong>, 17062 (2019). DOI: <span style=\"text-decoration: underline;\"><a href=\"https:\/\/doi.org\/10.1038\/s41598-019-49907-2\">10.1038\/s41598-019-49907-2<\/a><\/span>.<br \/>[3] P. Restuccia, G. Losi, O. Chehaimi, M. Marsili, and M. C. Righi, High-Throughput First-Principles Prediction of Interfacial Adhesion Energies in Metal-on-Metal Contacts <em>ACS Appl. Mater. Interfaces<\/em> <strong>15<\/strong>, 19624 (2023). DOI: <a href=\"https:\/\/doi.org\/10.1021\/acsami.3c00662\">10.1021\/acsami.3c00662<\/a>.<br \/><\/span><span style=\"font-family: verdana, geneva, sans-serif; color: #000000;\">[4] G. Losi, O. Chehaimi, and M.C. Righi, TribChem: a Software for the First-principles, High-Throughput Study of Solid Interfaces and their Tribological properties, accpeted to <em>Journal of Chemical Theory and Computation<\/em> (2023). DOI: <a href=\"https:\/\/doi.org\/10.48550\/arXiv.2304.14367\"><span style=\"text-decoration: underline;\">10.48550\/arXiv.2304.14367<\/span><\/a>.<br \/>[5] V. Fiorentini, and M. Methfessel, Extracting convergent surface energies from slab calculations <em>J. Phys.: Condens. Matter<\/em> <strong>8<\/strong>, 6525 (1996). DOI: <span style=\"text-decoration: underline;\"><a href=\"https:\/\/doi.org\/10.1088\/0953-8984\/8\/36\/005\">10.1088\/0953-8984\/8\/36\/005<\/a><\/span>.<br \/><\/span><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-c30559f elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"c30559f\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-a6fafb3\" data-id=\"a6fafb3\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<\/div>\n\t\t","protected":false},"excerpt":{"rendered":"<p>SURFACE ENERGIESa Element Crystal System (100) \u03b3 (J\/m\u00b2) (110) \u03b3 (J\/m\u00b2) (111) \u03b3 (J\/m\u00b2) Li bcc 0.42 0.46 0.52 Be hcp \/ \/ 2.01 Na bcc 0.2 0.2 0.24 Mg hcp \/ 0.43 Al fcc 0.92 1.06 0.76 Si dia 2.28 1.63 1.66 K bcc 0.1 0.1 0.13 Ca fcc 0.46 0.54 0.48 Sc hcp&hellip; <br \/> <a class=\"read-more\" href=\"https:\/\/tribchem.it\/?page_id=1624\">Read more<\/a><\/p>\n","protected":false},"author":4,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_monsterinsights_skip_tracking":false,"_monsterinsights_sitenote_active":false,"_monsterinsights_sitenote_note":"","_monsterinsights_sitenote_category":0,"footnotes":""},"class_list":["post-1624","page","type-page","status-publish","hentry"],"aioseo_notices":[],"_links":{"self":[{"href":"https:\/\/tribchem.it\/index.php?rest_route=\/wp\/v2\/pages\/1624","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/tribchem.it\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/tribchem.it\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/tribchem.it\/index.php?rest_route=\/wp\/v2\/users\/4"}],"replies":[{"embeddable":true,"href":"https:\/\/tribchem.it\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=1624"}],"version-history":[{"count":88,"href":"https:\/\/tribchem.it\/index.php?rest_route=\/wp\/v2\/pages\/1624\/revisions"}],"predecessor-version":[{"id":3831,"href":"https:\/\/tribchem.it\/index.php?rest_route=\/wp\/v2\/pages\/1624\/revisions\/3831"}],"wp:attachment":[{"href":"https:\/\/tribchem.it\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=1624"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}