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References from Molecular dynamics simulations addressing atomic-scale core issues in chemical mechanical polishing and post-CMP cleaning: A concise review. Local targets link to admitted publications; unresolved targets remain external evidence.
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The ReaxFF reactive force-field: Development, applications and future directions
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AFM probe for measuring ~10–5 ultra-low friction coefficient: Design and application
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Novel model of material removal rate on ultrasonic-assisted chemical mechanical polishing for sapphire
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Chemical mechanical planarization historical review and future direction
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Highly resolved scanning tunneling microscopy study of Si(001) surfaces flattened in aqueous environment
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Nanomanufacturing of silicon surface with a single atomic layer precision via mechanochemical reactions
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Study on polishing mechanisms of BEOL metal interconnects based on chemical and mechanical synergy
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Unlocking the potential of CMP synthesis: Merging enzyme design, host genome editing, and fermentation optimization strategy
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Chemical mechanical polishing on cobalt-based barrier through dual functionality of salicylhydroxamic acid between the removal of copper and corrosion inhibition
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Chemical mechanical planarization: Slurry chemistry, materials, and mechanisms
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Study on PVA brush loading and conditioning during shallow trench isolation post-CMP cleaning process
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Effect of ionic surfactants on shallow trench isolation for chemical mechanical polishing using ceria-based slurries
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Enhancing ceria slurry performance for shallow trench isolation chemical mechanical polishing through non-ionic surfactant addition
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The removal mechanism of monocrystalline Si in the process of double diamond abrasive polishing by molecular dynamics simulation
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Editors’ choice: in situ electrochemical evaluation of post-CMP cleaning reactions for cobalt and copper films under brushing conditions
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LAMMPS—A flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
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Study on particle removal during the Co post-CMP cleaning process
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Citric acid and NaIO4 based alkaline cleaning solution for particle removal during post-Ru CMP cleaning
10.1149/1.3621343 · 2011 · External reference
Development of a novel wet cleaning solution for post-CMP SiO2 and Si3N4 films
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Unraveling the mechanism of removing NA contamination by TMAH-based cleaning solution during post co-CMP cleaning
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Investigations on the mechanism of silica particle removal during the Cu buff cleaning process
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Developing an efficient forward design method for co post-CMP cleaning formulations based on nanoparticle removal mechanisms
10.1021/acsaelm.3c01315 · 2023 · External reference
Experimental characterization and dynamical modeling evaluation for enhanced BTA removal by three amino acids in post-Cu-CMP cleaning
10.1016/j.molliq.2023.121987 · 2023 · External reference
Moore’s law: The future of Si microelectronics
10.1016/s1369-7021(06)71539-5 · 2006 · External reference
Atomic-scale study on particle movement mechanism during silicon substrate cleaning using ReaxFF MD
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Improvement in the planarization of 4H-SiC(0001) achieved by photo-assisted chemical mechanical polishing (P-CMP) using nano TiO2-based composite abrasive with heterostructure
10.26599/frict.2025.9440993 · 2025 · External reference
Achieving ultralow surface roughness and high material removal rate in fused silica via a novel acid SiO2 slurry and its chemical-mechanical polishing mechanism
10.1016/j.apsusc.2019.144041 · 2020 · External reference
10.1016/j.mee.2017.10.002
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Effect of hydrogen peroxide on oxidation of copper in CMP slurries containing glycine and Cu ions
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The effect of amino acid addition in CeO2-based slurry on SiO2/Si3N4 CMP: Removal rate selectivity, morphology, and mechanism research
10.1016/j.molliq.2024.125855 · 2024 · External reference
Recent advances of molecular dynamics simulations in nanotribology
10.1016/j.molliq.2021.116154 · 2021 · External reference
Study on chemical effects of H2O2 and glycine in the copper CMP process using ReaxFF MD
10.1016/j.apsusc.2020.145262 · 2020 · External reference
Two material removal modes in chemical mechanical polishing: Mechanical plowing vs. chemical bonding
10.1007/s40544-023-0799-6 · 2024 · External reference
Cooperative reaction of hydrogen-networked water molecules at the SiC–H2O2 solution interface: Microscopic insights from ab initio molecular dynamics
10.1021/acs.jpcc.2c02464 · 2022 · External reference
Atomistic mechanisms of Si chemical mechanical polishing in aqueous H2O2: ReaxFF reactive molecular dynamics simulations
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Atomistic mechanisms of Cu CMP in aqueous H2O2: Molecular dynamics simulations using ReaxFF reactive force field
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Atomistic mechanisms of chemical mechanical polishing of a Cu surface in aqueous H2O2: Tight-binding quantum chemical molecular dynamics simulations
10.1021/acsami.5b11910 · 2016 · External reference
Numerical analysis of the effect of retaining ring structure on the chemical mechanical polishing abrasive motion state
10.3390/ma16010062 · 2023 · External reference
Stress distribution in chemical mechanical polishing
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Numerical and experimental investigation on multi-zone chemical mechanical planarization
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Investigating the impact of pad groove depth reduction on process variation in oxide chemical mechanical polishing
10.1149/2162-8777/ad83ef · 2024 · External reference
Simulation and experimental investigation of the radial groove effect on slurry flow in oxide chemical mechanical polishing
10.3390/app12094339 · 2022 · External reference
A material removal model for CMP based on the contact mechanics of pad, abrasives, and wafer
10.1149/1.3231691 · 2009 · External reference
The theory and design of plate glass polishing machines
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Re-examination of pressure and speed dependences of removal rate during chemical–mechanical polishing processes
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Modeling of chemical–mechanical polishing with soft pads
10.1007/s003390050766 · 1998 · External reference
Modeling of the wear mechanism during chemical–mechanical polishing
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Material removal mechanism in chemical mechanical polishing: Theory and modeling
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A micro-contact and wear model for chemical–mechanical polishing of silicon wafers
10.1016/s0043-1648(01)00871-7 · 2002 · External reference
A mathematical model for chemical–mechanical polishing based on formation and removal of weakly bonded molecular species
10.1016/s0043-1648(03)00015-2 · 2003 · External reference
An elliptical microcontact model considering elastic, elastoplastic, and plastic deformation
10.1115/1.1537744 · 2003 · External reference
A material removal rate model considering interfacial micro-contact wear behavior for chemical mechanical polishing
10.1115/1.1828068 · 2005 · External reference
A material removal model for silicon oxide layers in chemical mechanical planarization considering the promoted chemical reaction by the down pressure
10.1016/j.triboint.2015.09.008 · 2016 · External reference
Chemical mechanical polishing: Theory and experiment
10.1007/s40544-013-0035-x · 2013 · External reference
Effect of process conditions on uniformity of velocity and wear distance of pad and wafer during chemical mechanical planarization
10.1007/s11664-004-0294-4 · 2004 · External reference
Copper photocorrosion phenomenon during post CMP cleaning
10.1149/1.1390987 · 1999 · External reference
Evaluation of the Cu-CMP process by TOF-SIMS and XPS: Time dependence of Cu surface adsorbents and oxidation states
10.1016/s0169-4332(02)00703-1 · 2003 · External reference
Supercritical carbon dioxide-assisted oxidative degradation and removal of polymer residue after reactive ion etching of photoresist
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Experimental and modeling studies of particle removal in post silicon chemical mechanical planarization cleaning process
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Role of water in the tribochemical removal of bare silicon
10.1016/j.apsusc.2016.08.175 · 2016 · External reference
The effect of CeO2 abrasive size on dishing and step height reduction of silicon oxide film in STI–CMP
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New wet cleaning strategies for obtaining highly reliable thin oxides
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Silicon wafer wettability and aging behaviors: Impact on gold thin-film morphology
10.1016/j.mssp.2014.03.044 · 2014 · External reference
Particle adhesion and removal in chemical mechanical polishing and post-CMP cleaning
10.1149/1.1391989 · 1999 · External reference
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10.1103/physrev.136.a405 · 1964 · External reference
Effects of ultrasonic vibration on sapphire polishing investigated by molecular dynamics
10.1016/j.triboint.2022.107911 · 2022 · External reference
A molecular dynamics study on the tribological behavior of molybdenum disulfide with grain boundary defects during scratching processes
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Macromolecular kinetic Monte Carlo simulations taking only a moment
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Orbital-free density functional theory: An attractive electronic structure method for large-scale first-principles simulations
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Multiscale mechanics and molecular dynamics simulations of the durability of fiber-reinforced polymer composites
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Computational prediction of the molecular configuration of three-dimensional network polymers
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The state of the art for numerical simulations of the effect of the microstructure and its evolution in the metal-cutting processes
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Molecular dynamics simulation of the Stribeck curve: Boundary lubrication, mixed lubrication, and hydrodynamic lubrication on the atomistic level
10.1007/s40544-023-0745-y · 2023 · External reference
Atomistic understanding of rough surface on the interfacial friction behavior during the chemical mechanical polishing process of diamond
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Heterogeneous CPU+GPU-enabled simulations for DFTB molecular dynamics of large chemical and biological systems
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Scalable molecular dynamics on CPU and GPU architectures with NAMD
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Tunable quantum criticalities in an isospin extended Hubbard model simulator
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Effects of ultrasonic amplitude on sapphire ultrasonic vibration assisted chemical mechanical polishing by experimental and CFD method
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Material removal mechanism of copper chemical mechanical polishing in a periodate-based slurry
10.1016/j.apsusc.2015.02.076 · 2015 · External reference
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Molecular dynamics investigations on polishing of a silicon wafer with a diamond abrasive
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Linear scaling electronic structure methods
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Blackening failure of poly-α-olefin impregnated porous polymide due to the splitting of lubrication oil catalyzed by iron
10.1007/s40544-023-0829-4 · 2024 · External reference
Visualized reaction tracking and physical property analysis for a picked 3D area in a reactive molecular dynamics simulation system
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Atomic-scale study on nanoparticle removal mechanism during post-Cu CMP cleaning process using ReaxFF MD
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Ab initio molecular dynamics simulations of ion–solid interactions in Gd2Zr2O7 and Gd2Ti2O7
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Efficient equivariant model for machine learning interatomic potentials
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Water interactions with nanoporous silica: Comparison of ReaxFF and ab initio based molecular dynamics simulations
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ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation
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Material removal mechanism during porous silica cluster impact on crystal silicon substrate studied by molecular dynamics simulation
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Atomistic scale nanoscratching behavior of monocrystalline Cu influenced by water film in CMP process
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Simulation of chemical mechanical planarization of copper with molecular dynamics
10.1063/1.1505113 · 2002 · External reference
The removal mechanism of monocrystalline Si in the process of double diamond abrasive polishing by molecular dynamics simulation
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Investigation of material removal mechanism of silicon wafer in the chemical mechanical polishing process using molecular dynamics simulation method
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Abrasive rolling effects on material removal and surface finish in chemical mechanical polishing analyzed by molecular dynamics simulation
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Novel three-body nano-abrasive wear mechanism
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Planarization process of single crystalline silicon asperity under abrasive rolling effect studied by molecular dynamics simulation
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Effect of rotation of abrasives on material removal in chemical mechanical polishing using a proposed three-body model: Molecular dynamics simulation
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Study of material removal processes of the crystal silicon substrate covered by an oxide film under a silica cluster impact: Molecular dynamics simulation
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Mechanical properties and deformation behaviors of surface-modified silicon: A molecular dynamics study
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Atomic-level material removal mechanisms of Si(110) chemical mechanical polishing: Insights from ReaxFF reactive molecular dynamics simulations
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Atomic insight into tribochemical wear mechanism of silicon at the Si/SiO2 interface in aqueous environment: Molecular dynamics simulations using ReaxFF reactive force field
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Surface orientation and temperature effects on the interaction of silicon with water: Molecular dynamics simulations using ReaxFF reactive force field
10.1021/acs.jpca.6b11310 · 2017 · External reference
Atomistic insights into Cu chemical mechanical polishing mechanism in aqueous hydrogen peroxide and glycine: ReaxFF reactive molecular dynamics simulations
10.1021/acs.jpcc.9b08466 · 2019 · External reference
Insights into the atomistic behavior in diamond chemical mechanical polishing with OH environment using ReaxFF molecular dynamics simulation
10.1016/j.commatsci.2019.05.001 · 2019 · External reference
Effects of pressure and slurry on removal mechanism during the chemical mechanical polishing of quartz glass using ReaxFF MD
10.1016/j.apsusc.2019.144610 · 2020 · External reference
Cerium contamination on silicon carbide optics during CMP: TOF-SIMS, XPS characterization, and ReaxFF MD simulation
10.1016/j.apsusc.2025.163390 · 2025 · External reference
Investigation of the chemical action mechanism based on reactive force field in SiC chemical–mechanical polishing process
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Tight-binding quantum chemical molecular dynamics simulation of mechano-chemical reactions during chemical–mechanical polishing process of SiO2 surface by CeO2 particle
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Quantum chemical molecular dynamics studies on the chemical mechanical polishing process of Cu surface
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First-principles molecular dynamics investigation of ceria/silica sliding interface toward functional materials design for chemical mechanical polishing process
10.1016/j.apsusc.2020.147259 · 2020 · External reference
Atomic-level removal mechanism study of nickel-phosphorus (Ni–P) alloy based on AIMD and DFT calculation
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Predicting dislocation climb and creep from explicit atomistic details
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A kinetic Monte Carlo study of vacancy diffusion in non-dilute Ni–Re alloys
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A theory of pad conditioning for chemical-mechanical polishing
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Monte-Carlo methods for chemical–mechanical planarization on multiple-layer and dual-material models
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Process performance prediction for chemical mechanical planarization (CMP) by integration of nonlinear Bayesian analysis and statistical modeling
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Interfacial mechanical and tribochemical effects on friction mechanisms under air or vacuum conditions
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Atomically thin MoS2 with ultra-low friction properties based on strong interface interaction
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Adaptive coupling of a deep neural network potential to a classical force field
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Molecular dynamics simulation of Fe–Si alloys using a neural network machine learning potential
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