Seyed Mehdi Vaez Allaei

Journal Paper

1. "Beyond metals: theoretical discovery of semiconducting MAX phases and their potential application in thermoelectrics"
   Mohammad Khazaei, Iraj Maleki, Namitha Anna Koshi, Ahmad Ranjbar, Nanxi Miao, Junjie Wang, Rasoul Khaledialidusti, Thomas D. Kuhne, Seung-Cheol Lee, Satadeep Bhattacharjee, Hamid Hosano, Seyed Mehdi Vaez Allaei, Keivan Esfarjani, Kaoru Ohno
   PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 26, No 27, pp.18907-18917, 2024
2. "Polytelluride square planar chain-induced anharmonicity results in ultralow thermal conductivity and high thermoelectric efficiency in Al₂Te₅ monolayers"
   Iraj Maleki shahrivar, Seyed Mehdi Vaez Allaei, S. Shahab Naghavi
   PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 26, No 29, pp.19724-19732, 2024
3. "Remarkable Optoelectronic Characteristics of Synthesizable Square‐Octagon Haeckelite Structures: Machine Learning Materials Discovery"
   Ehsan Alibagheri, Mohammad Khazaei, Ahmad Ranjbar, Thomas D. Kuhne, Seyed Mehdi Vaez Allaei
   ADVANCED FUNCTIONAL MATERIALS, Vol. 34, No 27, 2024
4. "The effects of physical morphologies and strain rate on piezoelectric potential of boron nitride nanotubes: a molecular dynamics simulation"
   Gholamreza Ghashami, Mahdi Moghimi Zand, Maryam Mahnama, Seyed Mehdi Vaez Allaei, Miquel Lopez-Suarez
   NANOTECHNOLOGY, Vol. 35, No 14, 2024
5. "Role of volume change on the physics of thermoelectric half-Heusler compounds"
   Majid Yazdani-Kachoei, Shaohan Li, Weiwei Sun, Seyed Mehdi Vaez Allaei, Igor Di Marco
   Physical Review Materials, Vol. 7, No 10, 2023
6. "Superlattice MAX Phases with A-Layers Reconstructed into 0D-Clusters, 1D-Chains, and 2D-Lattices"
   Mohammad Khazaei, Soungmin Bae, Rasoul Khaledialidusti, Hannu-Pekka Komsa, Somayeh Khazaei, Mohammad Bagheri, Vei Wang, Yasuhide Mochizuki, Mitsuaki Kawamura, Gianaurelio Cuniberti, Seyed Mehdi Vaez Allaei, Kaoru Ohno, Hideo Hosono, Hannes Raebiger
   Journal of Physical Chemistry C, Vol. 127, No 30, 2023
7. "Energy harvesting from mechanical vibrations: self-rectification effect"
   Gholamreza Ghashami, Maryam Mahnama, Mahdi Moghimi Zand, Seyed Mehdi Vaez Allaei, Miquel Lopez-Suarez
   PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 25, No 20, pp.14400-14405, 2023
8. "Curvature and van der Waals interface effects on thermal transport in carbon nanotube bundles"
   Mostafa Valadkhani, Shunda Chen, Farshad Kousari, Giuliano Benenti, Giulio Casati, Seyed Mehdi Vaez Allaei
   Scientific Reports, Vol. 12, No 1, 2022
9. "Effects of preexisting cracks on tensile behavior and deformation mechanism of boron nitride nanoribbons: A molecular dynamics investigation"
   Reza Rezaei, Seyed Mehdi Vaez Allaei
   JOURNAL OF MATERIALS RESEARCH, Vol. 37, No 24, pp.4522-4532, 2022
10. "Asymmetric effects of amphipathic molecules on mechanosensitive channels"
    Omid Bavi, Zijing Zhou, Navid Bavi, Seyed Mehdi Vaez Allaei, Charles D. Cox, Boris Martinac
    Scientific Reports, Vol. 12, No 1, 2022
11. "Graphyne-3: a highly efficient candidate for separation of small gas molecules from gaseous mixtures"
    Khatereh Azizi, Seyed Mehdi Vaez Allaei, Arman Fathizadeh, Ali Sadeghi, Muhammad Sahimi
    Scientific Reports, Vol. 11, No 1, 2021
12. "Ordered/disordered monodisperse dense granular flow down an inclined plane: dry versus wet media in the capillary bridge regime"
    Halimeh Moharamkhani, Reza Sepehrinia, [] [], Morteza Jalalvand, Martin Brinkmann, Seyed Mehdi Vaez Allaei
    GRANULAR MATTER, Vol. 23, No 3, 2021
13. "Thermal conductivity of CaF2 at high pressure"
    Somayeh Faraji, Seyed Mehdi Vaez Allaei, Maximilian Amsler
    Physical Review B, Vol. 103, No 13, 2021
14. "Ultra-high lattice thermal conductivity and the effect of pressure in superhard hexagonal BC2N"
    Safoura Nayeb Sadeghi, Seyed Mehdi Vaez Allaei, Mona Zebarjadi, Keivan Esfarjani
    Journal of Materials Chemistry C, Vol. 8, No 44, pp.15705-15716, 2020
15. "Achieving an Ultrahigh Power Factor in Sb2Te2Se Monolayers via Valence Band Convergence"
    Mohammad Rafiee diznab, Iraj Maleki shahrivar, Seyed Mehdi Vaez Allaei, Yi Xia, S. Shahab Naghavi
    ACS Applied Materials & Interfaces, Vol. 11, No 50, pp.46688-46695, 2019
16. "Roughness-dependent wetting behavior of vapor-deposited metallic thin films"
    Farnaz Foadi, Seyed Mehdi Vaez Allaei, George Palasantzas, Mohammad Reza Mohammadi Zadeh
    PHYSICAL REVIEW E, Vol. 100, No 2, 2019
17. "Towards a simplified description of thermoelectric materials: accuracy of approximate density functional theory for phonon dispersions"
    Thomas A. Niehaus, Sigismund T A G Melissen, Balint Aradi, Seyed Mehdi Vaez Allaei
    JOURNAL OF PHYSICS-CONDENSED MATTER, Vol. 31, No 39, 2019
18. "Structure and Conformation of Stereoregular Poly(methyl methacrylate) Chains Adsorbed on Graphene Oxide and Reduced Graphene Oxide via Atomistic Simulations"
    Alireza Foroozani Behbahani, Ghodratollah Hashemi Motlagh, Seyed Mehdi Vaez Allaei, Vagelis Harmandaris
    MACROMOLECULES, Vol. 52, No 10, pp.3825-3838, 2019
19. "Structure, Dynamics, and Apparent Glass Transition of Stereoregular Poly(methyl methacrylate)/Graphene Interfaces through Atomistic Simulations"
    Alireza Foroozani Behbahani, Seyed Mehdi Vaez Allaei, Ghodratollah Hashemi Motlagh, Vagelis A. Harmandaris, Hossein Eslami
    MACROMOLECULES, Vol. 51, No 19, pp.7518-7532, 2018
20. "Inter-layer and intra-layer heat transfer in bilayer/monolayer graphene van der Waals heterostructure: Is there a Kapitza resistance analogous?"
    Ali Rajabpour, Francesco Fantozzi Fantozzi, Seyed Mehdi Vaez Allaei
    APPLIED PHYSICS LETTERS, Vol. 112, No 23, 2018
21. "Analysis of abrasive damage of iron ore pellets"
    Hossein Madadi, Abolfazl Masoumi, Seyed Mehdi Vaez Allaei
    POWDER TECHNOLOGY, Vol. 331, pp.20-27, 2018
22. "Structure and dynamics of stereo-regular poly(methyl-methacrylate) melts through atomistic molecular dynamics simulations"
    Alireza Foroozani Behbahani, Seyed Mehdi Vaez Allaei, Ghodratollah Hashemi Motlagh, Hossein Eslami, Vagelis A. Harmandaris
    Soft Matter, Vol. 14, No 8, pp.1449-1464, 2018
23. "Kapitza thermal resistance across individual grain boundaries in graphene"
    Khatereh Azizi, Petri Hirvonen, Zheyong Fan, Ari Harju, Ken R. Elder, Tapio Ala-nissila, Seyed Mehdi Vaez Allaei
    CARBON, Vol. 125, No 8, pp.384-390, 2017
24. "Characterization of the anisotropy of rough surfaces: Crossing statistics"
    Mohsen Ghasemi Nezhadhaghighi, Seyed Mohammad Sadegh Movahed, Taha Yasseri, Seyed Mehdi Vaez Allaei
    JOURNAL OF APPLIED PHYSICS, Vol. 122, No 8, 2017
25. "Multiscale modeling of polycrystalline graphene: A comparison of structure and defect energies of realistic samples from phase field crystal models"
    Petri Hirvonen, Mikko M. Ervasti, Zheyong Fan, Morteza Jalalvand, Matthew Seymour, Seyed Mehdi Vaez Allaei, Nikolas Provatas, Ari Harju, Ken R. Elder, Tapio Ala-nissila
    Physical Review B - Condensed Matter and Materials Physics, Vol. 94, No 3, 2016
26. "Diffusion and self-assembly of C60 molecules on monolayer graphyne sheets"
    Masoumeh Ozmaian, Arman Fathizadeh, Morteza Jalalvand, Mohammad Reza Ejtehadi, Seyed Mehdi Vaez Allaei
    Scientific Reports, Vol. 6, No 2, 2016
27. "Highly anisotropic thermal conductivity of arsenene: An ab initio study"
    Majid Zeraati, Seyed Mehdi Vaez Allaei, Ismaeil Abdolhosseini Sarsari, Mahdi Pourfath, Davide Donadio
    Physical Review B - Condensed Matter and Materials Physics, Vol. 93, No 8, 2016
28. "Structural and mechanical features of the order-disorder transition in experimental hard-sphere packings"
    Maryam Hanifpour, N.. Francois, V.. Robins, A.. Kingston, Seyed Mehdi Vaez Allaei, Mohammad Saadatfar
    PHYSICAL REVIEW E, Vol. 91, No 6, 2015
29. "Mechanical Characterization of Partially Crystallized Sphere Packings"
    Maryam Hanifpour, N.. Francois, Seyed Mehdi Vaez Allaei, T.. Senden, Mohammad Saadatfar
    PHYSICAL REVIEW LETTERS, Vol. 113, No 14, 2014
30. "Semi-analytical solution for the in-vitro sedimentation, diffusion and dosimetry model: Surveying the impact of the Peclet number"
    Ali Mahnama, قادر قربانی اصل , Seyed Mehdi Vaez Allaei, Seyed Ahmad Nourbakhsh
    COLLOIDS AND SURFACES B-BIOINTERFACES, Vol. 122, 2014
31. "Thermal rectification in pristine-hydrogenated carbon nanotube junction: A molecular dynamics study"
    Kiarash Gordiz, Seyed Mehdi Vaez Allaei
    JOURNAL OF APPLIED PHYSICS, Vol. 115, No 16, 2014
32. "Nitrogen doping and curvature effects on thermal conductivity of graphene : A non - equilibrium molecular dynamics study"
    Bohayra Mortazavia , Ali Rajabpourc , Said Ahzia , Yves Rémonda , Seyed Mehdi Vaez Allaei
    SOLID STATE COMMUNICATIONS, Vol. 152, No 4, pp.261-264, 2012
33. "Tuning thermal conductivity of bilayer graphene by inter - layer sp3 bonding : A molecular dynamics study"
    A Rajabpour , Seyed Mehdi Vaez Allaei
    APPLIED PHYSICS LETTERS, Vol. 101, No 5, pp.1-4, 2012
34. "Nonuniversality of roughness exponent of quasistatic fracture surfaces"
    Mehdi Ansari Rad , Seyed Mehdi Vaez Allaei, Muhammad Sahimi
    PHYSICAL REVIEW E, Vol. 85, No 2, 2012
35. "Geometrical exponents of contour loops on synthetic multifractal rough surfaces : multiplicative hierarchical cascade p - model"
    S Hosseinabadi , M A Rajabpour , M Sadegh Movahed , Seyed Mehdi Vaez Allaei
    PHYSICAL REVIEW E, Vol. 85, No 3, 2011
36. "Tunable superlattice in - plane thermal conductivity based on asperity sharpness at interfaces: Beyond Zimans model of specularity"
    Ali Rajabpour , Seyed Mehdi Vaez Allaei, Yann Chalopin , Farshad Kousari, Sebastian Volz
    JOURNAL OF APPLIED PHYSICS, Vol. 110, No 11, pp.113529-113536, 2011
37. "Thermal rectification in multi - walled carbon nanotubes : A molecular dynamics study"
    Kiarash Gordiz , Seyed Mehdi Vaez Allaei, Farshad Kousari
    APPLIED PHYSICS LETTERS, Vol. 99, 2011
38. "Interface thermal resistance and thermal rectification in hybrid graphene - graphane nanoribbons : A nonequilibrium molecular dynamics study"
    Ali Rajabpour , Seyed Mehdi Vaez Allaei, Farshad Kousari
    APPLIED PHYSICS LETTERS, Vol. 99, No 5, pp.1-3, 2011
39. "Photocatalytic and superhydrophilicity properties of N - doped TiO2 nanothin films"
    Mahshid Chekini , Mohammad Reza Mohammadi Zadeh, Seyed Mehdi Vaez Allaei
    APPLIED SURFACE SCIENCE, Vol. 257, No 7, pp.7179-7183, 2010
40. "Scaling relations for contour lines of rough surfaces"
    M A Rajabpour , Seyed Mehdi Vaez Allaei
    PHYSICAL REVIEW E, Vol. 80, No 1, 2009
41. "Propagation and localization of acoustic and elastic waves in heterogeneous materials: renormalization group analysis and numerical simulations"
    Muhammad Sahimi, Mohammad Reza Rahimi Tabar, Alireza Bahraminasab, Reza Sepehrinia, Seyed Mehdi Vaez Allaei
    ACTA MECHANICA, Vol. 205, pp.197-222, 2009
42. "Propagation and localization of acoustic and elastic waves in heterogeneous materials renormalization group analysis and numerical simulations"
    Sahimi Muhammad , Mohammad Reza Rahimi Tabar , Bahraminasab Alireza , Sepehrinia Reza , Seyed Mehdi Vaez Allaei
    ACTA MECHANICA, Vol. 205, pp.197-222, 2009
43. "Numerical Simulation of Wave Propagation, Part II : Parallel Computing"
    Muhammad Sahimi , Seyed Mehdi Vaez Allaei
    COMPUTING IN SCIENCE & ENGINEERING, Vol. 10, No 4, pp.76-83, 2008
44. "Reply to “Comment on `Renormalization group analysis and numerical simulation of propagation and localization of acoustic waves in heterogeneous media' ”"
    A Bahraminasab , A Esmailpour , F Shahbazi , M R Rahimi Tabar , Seyed Mehdi Vaez Allaei, M Sahimi
    Physical Review B - Condensed Matter and Materials Physics, Vol. 77, pp.1-4, 2008
45. "Numerical Simulation of Wave Propagation, Part I : Sequential Computing"
    M Sahimi , Seyed Mehdi Vaez Allaei
    COMPUTING IN SCIENCE & ENGINEERING, Vol. 10, No 3, pp.66-75, 2008
46. "Propagation of acoustic waves as a probe for distinguishing heterogeneous media with short - range and long - range correlations"
    Seyed Mehdi Vaez Allaei
    JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT, Vol. -, No 3, 2008
47. "Renormalization group analysis and numerical simulation of propagation and localization of acoustic waves in heterogeneous media"
    Alireza Bahraminasab , Seyed Mehdi Vaez Allaei, Farhad Shahbazi , Muhammad Sahimi , M D Niry , M Reza Rahimi Tabar
    Physical Review B - Condensed Matter and Materials Physics, Vol. 75, No 6, 2007
48. "Shape of a Wave Front in a Heterogeneous Medium"
    Seyed Mehdi Vaez Allaei, Muhammad Sahimi
    PHYSICAL REVIEW LETTERS, Vol. 96, No 7, 2006
49. "Elastic properties of small - world spring networks"
    A Ramezanpour , Seyed Mehdi Vaez Allaei
    PHYSICAL REVIEW E, Vol. 72, No 6, pp.1-16, 2005
50. "Localization of elastic waves in heterogeneous media with off - diagonal disorder and long - range correlations"
    F Shahbazi , Alireza Bahraminasab , Seyed Mehdi Vaez Allaei, Muhammad Sahimi , M Reza Rahimi Tabar
    PHYSICAL REVIEW LETTERS, Vol. 94, No 16, 2005

Conference Paper

1. "Graphyne-3 as a Membrane for Separation of CH4 / CO2 Gas Mixture"
   Khatereh Azizi, Ali Khosravi, Seyed Mehdi Vaez Allaei
   The Seventh International Conference on Nanostructures (ICNS7), 2018
2. "Biophysical Interactions of 5-Fluoruracil with Lipid Bilayers: A Molecular Dynamics Study"
   Omid Bavi, Navid Bavi, Seyed Mehdi Vaez Allaei
   The Seventh International Conference on Nanostructures (ICNS7), 2018
3. "Asymmetric and Anisotropic Heat Transport in Nanostructures"
   Seyed Mehdi Vaez Allaei
   Recent Progress in the Physics of Thermal Transport, 2017
4. "Dense Granular Flow Down an Inclined Rough Plane: Wet Media in Capillary Bridge regime"
   Halimeh Moharamkhani, Reza Sepehrinia, Seyed Mehdi Vaez Allaei
   8th International Conference on Micromechanics of Granular Media, 2017
5. "Dynamics of granular materials in rotating spherical tumbler: Dry vs wet systems"
   Mostafa Taheri, Halimeh Moharamkhani, Seyed Mehdi Vaez Allaei
   8th International Conference on Micromechanics of Granular Media, 2017
6. "Multiscale modeling of polycrystalline graphene"
   Petri Hirvonen, Mikko Ervasti, Zheyong Fan, Morteza Jalalvand, Khatereh Azizi, Matthew Seymour, Seyed Mehdi Vaez Allaei, Nikolas Provatas, Ari Harju, Ken Elder, Tapio Ala-nissila
   APS March Meeting 2017, 2017
7. "Silicon Lattice Thermal Conductivity: Density Funcyional Tight-Binding Calculations"
   Majid Zeraati, Morteza Jalalvand, Thomas A. Niehaus, Seyed Mehdi Vaez Allaei
   Nanoscale and Microscale Heat Transfer V Eurotherm Seminar No 108, 2016
8. "Nanoscale heat transport and thermal diode"
   Seyed Mehdi Vaez Allaei
   Third Dynamics Days in Central Asian, 2016
9. "Tailoring Phononic Heat Transport and Thermal Rectification in Low-dimensional Systems"
   Seyed Mehdi Vaez Allaei
   Conference on New Trends in Quantum Heat and Thermoelectrics, 2016
10. "Phononic heat transport and thermal rectification"
    Seyed Mehdi Vaez Allaei
    XXXVI Dynamics Days Europe, 2016
11. "Effect of Discrete Breathers in the Thermal Conductivity of Graphene: A Molecular Dynamics Study"
    Alberto Fraile, Seyed Mehdi Vaez Allaei, Giorgos Tsironis
    Hot nanostructures: thermal transport and radiation at the nanoscale, 2015
12. "Heat Transport in free standing and Strained Bilayer silicene: a Molecular Dynamics Approach"
    Seyed Mehdi Vaez Allaei, Mostafa Valadkhani, Davide Donadio, Farshad Kousari, Morteza Jalalvand
    Hot nanostructures: thermal transport and radiation at the nanoscale, 2015
13. "Heat Transport at Bilayer-Monolayer Graphene Planar Junction: from Molecular Dynamics Simulation to Continuum Equation"
    Ali Rajabpour , Seyed Mehdi Vaez Allaei
    Hot nanostructures: thermal transport and radiation at the nanoscale, 2015
14. "Thermal Rectification in Asymmetric Nanostructures: Molecular Dynamics Studies"
    Kiarash Gordiz, Seyed Mehdi Vaez Allaei, Ali Rajabpour , Farshad Kousari
    Conference on Frontiers of Nanoscience, 2015
15. "Anistoropic Phononic Thermal Conductivity of Arsenene: An ab initio Study"
    Majid Zeraati, Seyed Mehdi Vaez Allaei, Ismaeil Abdolhosseini Sarsari, Mahdi Pourfath, Davide Donadio
    Conference on Frontiers of Nanoscience, 2015
16. "Thermal Conductivity of hydrogen functionalized Graphyne and Graphdiyne: A Nonequilibrium Molecular Dynamics Study"
    Ali Rajabpour, Seyed Mehdi Vaez Allaei, Morteza Jalalvand
    5th International Conference on Nanostructures (ICNS5), 2014
17. "DEM simulation of experimental dense granular packing"
    Maryam Hanifpour, Nicolas Francois, Seyed Mehdi Vaez Allaei, Mohammad Saadatfar
    Powders and Grains 2013, 2013
18. "Multiscale heat transport in polycrystalline graphene and silicene: Boltzmann transport equation appraoch"
    Majid Zeraati, Seyed Mehdi Vaez Allaei
    3rd Physics Society of Iran's Conference on Computational Physics, 2018
19. "Dynamic scaling in Ag thin film growth"
    Farnaz Foadi, Seyed Mehdi Vaez Allaei, Mohammad Reza Mohammadi Zadeh
    13th condensed matter physics conference of psi, 2017
20. "Dynamic Scaling in Ag Thin Film Growth: Thermal Evaporation Method"
    FARNAZ FOADI, Seyed Mehdi Vaez Allaei, Mohammad Reza Mohammadi Zadeh
    13th PSI Conference on Condensed Matter, 2017
21. "Phononic thermal transport and thermal rectification in low dimensional systems"
    Seyed Mehdi Vaez Allaei
    PSI Conference on Many-Body Systems (bulk and nanoscale), 2015
22. "Lattice Dynamics and Thermal Conductivity of Blue and Black Phosphorous: A Density Functional Theory Study"
    Majid Zeraati, Seyed Mehdi Vaez Allaei, Ismaeil Abdolhosseini Sarsari, Mahdi Pourfath, Davide Donadio
    12th PSI Conference on Condensed Matter, 2015
23. "Nanoscale Thermal Transport and Thermal Diodes"
    Seyed Mehdi Vaez Allaei
    12th PSI Conference on Condensed Matter, 2015
24. "The Effect of Strain on Thermal Conductivity of Silicene: A Density Functional Theory Study"
    Majid Zeraati, Seyed Mehdi Vaez Allaei, Ismaeil Abdolhosseini Sarsari, Davide Donadio
    12th PSI Conference on Condensed Matter, 2015
25. "Thermal rectification in monolayer/bilayer silicene junction"
    Mostafa Valadkhani, Seyed Mehdi Vaez Allaei
    12th PSI Conference on Condensed Matter, 2015
26. "Fractal dimension and solvent accessible surface area of crumpled silicene: molecular dynamics study"
    Mostafa Valadkhani, Seyed Mehdi Vaez Allaei
    7th Conference on Statistical Physics, Soft Condensed Matter and Complex Systems, 2014
27. "Investigation of the factors affecting on granular particle segregation based on density by using Discrete Element Method (2D)"
    Ehsan Nasir-baghban, Maryam Hanifpour, Seyed Mehdi Vaez Allaei
    Computational Physics Conference, 2014
28. "The effects of defect on the oscillatory behaviours of GogaHertz Carbon Nanotube Oscillators"
    Seyed Mehdi Vaez Allaei, عباس غفاری اصفهانی
    11th Iranian Physical Society Conference on Condensed Matter, 2013