Cover Image

Insights into the adhesion and delamination strength of carbon films on metals by high-throughput ab initio calculations

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Damiani, Elisa, Marsili, Margherita, Righi, Maria Clelia
Format:	Preprint
Published:	2025
Subjects:	Materials Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

fair_data.py: implementing FAIR data compliance in Tribchem
by: Berghenti, Lucrezia, et al.
Published: (2025)

On the role played by electrons in the stress-strain curves of ideal crystalline solids
by: Marsili, Margherita, et al.
Published: (2025)

Phase stability and mechanical property trends for MAB phases by high-throughput ab initio calculations
by: Koutná, Nikola, et al.
Published: (2024)

Combined ab initio and experimental study of phosphorus-based anti-wear additives interacting with iron and iron oxide
by: Benini, Francesca, et al.
Published: (2025)

TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods
by: Nakano, Kousuke, et al.
Published: (2023)

Efficient GW calculations for metals from an accurate ab initio polarizability
by: Sesti, Giacomo, et al.
Published: (2025)

Nanograined half-Heusler semiconductors as advanced thermoelectrics: an ab-initio high-throughput statistical study
by: Carrete, Jesús, et al.
Published: (2014)

A high-throughput ab initio study of elemental segregation and cohesion at ferritic-iron grain boundaries
by: Mai, Han Lin, et al.
Published: (2025)

Fast \textit{ab initio} design of high-entropy magnetic thin films
by: Bista, Dinesh, et al.
Published: (2024)

High-pressure II-III phase transition in solid hydrogen: Insights from state-of-the-art ab initio calculations
by: Hellgren, Maria, et al.
Published: (2022)

Charge control of semiconductor surfaces as elucidated by ab initio calculations a review
by: Krukowski, Stanisław, et al.
Published: (2025)

Enhancing ab initio diffusion calculations in materials through Gaussian process regression
by: Fattahpour, Seyyedfaridoddin, et al.
Published: (2023)

Polarization spontaneous and piezo: fundamentals and their implementation in ab initio calculations
by: Strak, Pawel, et al.
Published: (2024)

High temperature and pressure thermoelasticity of hcp metals from ab initio quasi-harmonic free energy calculations: the beryllium case
by: Gong, Xuejun, et al.
Published: (2024)

Adhesion Energy of Phosphorene on Different Pristine and Oxidized Metallic Substrates
by: Vezzelli, Matteo, et al.
Published: (2025)

Accelerating ab initio melting property calculations with machine learning: Application to the high entropy alloy TaVCrW
by: Zhu, Li-Fang, et al.
Published: (2024)

Accelerating the prediction of stacking fault energy by combining ab initio calculations and machine learning
by: Linda, Albert, et al.
Published: (2024)

Intrinsic ductility enhancement in Mg alloys elucidated via large-scale ab-initio calculations
by: Das, Sambit, et al.
Published: (2026)

Understanding the wetting of transition metal dichalcogenides from an ab initio perspective
by: Li, Siheng, et al.
Published: (2024)

Conductive metal oxide and hafnium oxide bilayer ReRAM: an ab initio study
by: Honet, Antoine, et al.
Published: (2024)

Electro-optic properties from ab initio calculations in two-dimensional materials
by: Jiang, Zhijun, et al.
Published: (2024)

Optical properties of emeraldine salt polymers from ab initio calculations: comparison with recent experimental data
by: Colle, Renato, et al.
Published: (2025)

Hydrogen diffusion in ceria: solid state NMR, combined scattering and spectroscopic studies, and ab initio calculations
by: Zhu, Zhichao, et al.
Published: (2025)

DeePAW: A universal machine learning model for orbital-free ab initio calculations
by: Su, Tianhao, et al.
Published: (2026)

Magnetic properties of Cr$_8$ and V$_8$ molecular rings from ab initio calculations
by: Stocco, Elia, et al.
Published: (2025)

Sliding properties of Transition Metal Dichalcogenide bilayers
by: Silvestrelli, Pier Luigi, et al.
Published: (2025)

Velocity dependence of kinetic friction by multi-scale Quantum Mechanics/Green's Function molecular dynamics
by: Pacini, Alberto, et al.
Published: (2025)

Efficient calculation of unbiased atomic forces in ab initio Variational Monte Carlo
by: Nakano, Kousuke, et al.
Published: (2023)

Optical lineshapes of the C-center in silicon from ab initio calculations: Interplay of localized modes and bulk phonons
by: Silkinis, Rokas, et al.
Published: (2024)

Atomic-scale study on core-shell Cu precipitation in steels: atom probe tomography and ab initio calculations
by: Shen, Xiao, et al.
Published: (2024)

Reproducibility of high-throughput density-functional-theory calculations
by: Lu, Chenxi, et al.
Published: (2025)

Accurate ab initio modeling of solid solution strengthening in high entropy alloys
by: Moitzi, Franco, et al.
Published: (2022)

Comparison between first-principles supercell calculations of polarons and the ab initio polaron equations
by: Dai, Zhenbang, et al.
Published: (2025)

Hydrogen modes in KH$_2$PO$_4$ under pressure from ab initio calculation and inelastic neutron scattering
by: Abalmasov, V. A., et al.
Published: (2025)

Temperature dependence of the Gibbs energies of formation of point defects in B2 MoTa from ab initio calculations
by: Xu, Xiang, et al.
Published: (2026)

Insights into Nb2C and Nb2CO2 as high-performance anodes for sodium- and lithium-ion batteries: An ab initio investigation
by: Sultana, Nishat, et al.
Published: (2025)

Control of ferroelectric domain wall dynamics by point defects: Insights from ab initio based simulations
by: Teng, Sheng-Han, et al.
Published: (2025)

Crystallographic control of hydrogen ingress in bcc-Iron: Insights from ab initio simulations
by: Meier, Lukas, et al.
Published: (2025)

Autonomous materials search using machine learning and ab initio calculations for L10-FePt-based quaternary alloys
by: Iwasaki, Yuma, et al.
Published: (2024)

Intrinsic (non)-Gilbert damping in magnetic insulators calculated from a minimal model and \textit{ab initio} spin Hamiltonians
by: Shumilin, Andrei, et al.
Published: (2026)