KELOMPOK RISET KOMPUTASI MATERIAL TERAPAN

Molecular Dynamics Simulation and DFT

Dr. Artoto Arkundato

Department of Physics, Jember University

Email : a.arkundato@unej.ac.id

Brief CV

Diploma in Physics, Physics Department, Faculty of Mathematics and Natural Sciences, Gadjahmada University (1995)

Magister in Physics, Physics Department, Faculty of Mathematics and Natural Sciences, ITB (2003)

Doctor in Physics, Physics Department, Faculty of Mathematics and Natural Sciences, ITB (2012)

Workshop on Quantum Espresso, JNCASR, Bangalore, India (July, 2005)

Visiting Research, ENEA Roma Italy (2010)

Visiting Research, Theoritical Nano Technology Lab, SANKEN Osaka University (2018)

Mata Kuliah

MAFXXX Fisika Dasar
MAFXXX Fisika Dasar Lanjutan
MAFXXX Fisika Komputasi I
MAFXXX Fisika Komputasi II
MAFXXX Fisika Kuantum
MAFXXX Fisika Inti
MAFXXX Komputasi Atom dan Molekul
MAFXXX Metode Dinamika Molekul
MAFXXX Mekanika
MAFXXX Mekanika Klasik (S2)
MAFXXX Mekanika Statistik (S2)
MAFXXX Mekanika Kuantum (S2)

Research

Focuses on the researches in the field of material physics computation. The current interest is using the molecular dynamics simulation method to investigate some problems as:

liquid metals corrosion in fast nuclear reactor, mechanical properties of metal systems (steels, ceramics, composite materials), thermodynamics properties of coolant systems.

The future works will study materials under method of density functional theory (DFT).

Publications

Neutronic analysis of sodium‐cooled fast reactor design with different fuel types using modified CANDLE shuffling strategy in a radial direction

MA Shafii, R Septi, F Handayani Irka, A Arkundato, Z Su'ud

International Journal of Energy Research 45 (8), 12272-12283

Simulation of Hydrogenated Amorphous Silicon-based Solar Cell: Investigation of JV Characteristic in Optimum Thickness

E Purwandari, S Mutma’inah, W Maulina, A Arkundato, L Rohman, ...

Journal of Physics: Conference Series 1951 (1), 012028

Phase Transition of Fe₃O₄ Magnetic Material Based on Observation of Curie Temperature and Hysteresis Curve: Micromagnetic Simulation Study

DA Puspita, L Rohman, A Arkundato, RD Syarifah

European Journal of Applied Physics 3 (2), 3-10

Analyses of Concentration and Wavelength Dependent Refractive Index of Sugar Solution Using Sellmeier Equation

E Purwandari, A Arkundato, L Rohman, BE Cahyono

Journal of Physics: Conference Series 1825 (1), 012030

Magnetic susceptibility and curie temperature of Co1-xFex alloy nanocube and nanosphere using micromagnetic simulation

L Rohman, A Arkundato, YT Mulyani, D Djuhana

Journal of Physics: Conference Series 1825 (1), 012003

Mechanical properties of Fe, Ni and Fe-Ni alloy: Strength and stiffness of materials using lammps molecular dynamics simulation

A Maulana, A Arkundato, Sutisna, H Trilaksana

AIP Conference Proceedings 2314 (1), 020008

Study of Vortex Generator Effect on Airfoil Aerodynamics Using the Computational Fluids Dynamics Method

SA Ayudia, A Arkundato, L Rohman

Computational And Experimental Research In Materials And Renewable Energy 3

SIMULATION OF IRON CORROSION IN LEAD-MAGNESIUM EUTECTIC (LME) USING OXYGEN INHIBITOR

U Sa'adah, A Arkundato, M Hasan

Jurnal Sains Materi Indonesia 21 (3), 129-134

Comparative study on various thermal power for gas cooled fast reactor with uranium plutonium nitride fuel

RD Syarifah, A Arkundato, L Rohman, Z Su'ud

AIP Conference Proceedings 2278 (1), 020040

Investigation of iron in high temperature molten liquid lead using the Lennard-Jones potential

A Triwardani, A Arkundato, Sutisna, W Maulina, E Purwandari

AIP Conference Proceedings 2278 (1), 020041

Thermoelectric Generator Module as An Alternative Source Of Electrical Energy in Rural Areas

A Arkundato, G Jatisukamto, M Misto, W Maulina, KA Syah

Rekayasa: Jurnal Penerapan Teknologi dan Pembelajaran 18 (1), 24-29

Energy Cohesive Calculation for Some Pure Metals Using the Lennard-Jones Potential in Lammps Molecular Dynamics

RU Mardiyah, A Arkundato, E Purwandari

Journal of Physics: Conference Series 1491 (1), 012020

Parameters (σ, ε) of Lennard-Jones for Fe, Ni, Pb for Potential and Cr based on Melting Point Values Using the Molecular Dynamics Method of the Lammps Program

CY Maghfiroh, A Arkundato, W Maulina

Journal of Physics: Conference Series 1491 (1), 012022

Thermodynamics and Structural Properties of Ti3SiC2 in Liquid Lead Coolant

A Arkundato, M Hasan, A Pramutadi, AK Rivai, Z Su’ud

Journal of Physics: Conference Series 1493 (1), 012026

Self-diffusion coefficient of fe, pb, ni and Cr by molecular dynamics simulation using the potential morse

A Arkundato, E Purwandari

Journal of Physics: Conference Series 1436 (1), 012037

Neutronic analysis of comparation UN-PuN fuel and ThN fuel for 300MWth Gas Cooled Fast Reactor long life without refueling

RD Syarifah, A Arkundato, D Irwanto, Z Su’ud

Journal of Physics: Conference Series 1436 (1), 012132

Heating and Quenching Procedure on The Making of Traditional Blacksmith Steel With High Quality

A Arkundato, M Misto, H Paramu, G Jatisukamto, I Sugihartono

Spektra: Jurnal Fisika dan Aplikasinya 4 (1), 39-50

Temperature dependence diffusion coefficients of iron, boron and iron-boron calculated by molecular dynamics method

A Arkundato, M Hasan, E Purwandari, A Pramutadi, F Aziz

Journal of Physics: Conference Series 1170 (1), 012008

Performance of the Fe-Ni-Cr steel alloy in high temperature molten liquid lead

A Arkundato, F Monado, Z Su’ud

Journal of Physics: Conference Series 1170 (1), 012010

Carbonization Process of Water Hyacinth as an Alternative Renewable Energy Material for Biomass Cook Stoves Applications

W Maulina, R Kusumaningtyas, Z Rachmawati, A Arkundato, L Rohman, ...

IOP Conference Series: Earth and Environmental Science 239 (1), 012035

Density of Liquid Lead as Function of Temperature and Pressure Based on the Molecular Dynamics Method

MAB Imanullah, A Arkundato, E Purwandari

Computational And Experimental Research In Materials And Renewable Energy 1 …

Structural and Photoluminescence Properties of ZnO Thin Films Deposited by Ultrasonic Spray Pyrolysis

I Sugihartono, E Handoko, V Fauzia, A Arkundato, LP Sari

Makara Journal of Technology 22 (1), 3

Effect of temperature on the corrosion inhibition of iron in liquid lead using oxygen inhibitor: studied by MD simulation

A Arkundato, F Monado, Z Su’ud

Journal of Physics: Conference Series 853 (1), 012046

Molecular Dynamics Study for Inhibition of Iron Corrosion in High-Temperature Liquid PbBi with Nobel Gas Inhibitors

U Sa’adah, A Arkundato, L Rohman

Jurnal ILMU DASAR 17 (2), 95-102

Simulation of Formation of Icosahedral Structure in Solid-Liquid-Solid Phase Change Using Molecular Dynamics Methods

NUJ Hauwali, A Arkundato, L Rohman

Jurnal ILMU DASAR 17 (1), 19-24

Simulasi Dinamika Molekul Penghambatan Korosi Besi dalam PbBi Cair Panas Tinggi dengan Inhibitor Gas Mulia

U Sa’adah, A Arkundato, L Rohman

Jurnal ILMU DASAR 17 (2), 95-102

Molecular dynamics simulation of corrosion mitigation of iron in lead-bismuth eutectic using nitrogen as corrosion inhibitor

A Arkundato, Z Su'ud, M Hasan, M Celino

Journal of Physics: Conference Series 622 (1), 012009

Determination of Sesame Oil Quality UsingFraunhofer Difraction Method: Refraction Index as a Temperature Function

NI Alfianinda, M Misto, A Arkundato

Jurnal ILMU DASAR 15 (1), 59-67

Theoretical analysis of integral neutron transport equation using collision probability method with quadratic flux approach

MA Shafii, R Meidianti, Wildian, D Fitriyani, SHJ Tongkukut, A Arkundato

AIP Conference Proceedings 1615 (1), 91-95

Important Link

Google Scholar

https://scholar.google.co.id/citations?hl=en&user=BVpZN1gAAAAJ&view_op=list_works&sortby=pubdate

sinta.ristekbrin.go.id

https://sinta.ristekbrin.go.id/authors/detail?id=5994932&view=overview

Scopus

https://www.scopus.com/authid/detail.uri?origin=resultslist&authorId=22933701900&zone=

Software

Quantum Espresso

Integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale.

https://www.quantum-espresso.org/

Packmol

Initial configurations for Molecular Dynamics Simulations by packing optimization

http://leandro.iqm.unicamp.br/m3g/packmol/home.shtml

LAMMPS

Molecular Dynamics Simulator

https://www.lammps.org/

OVITO

Scientific visualization and analysis software for atomistic and particle simulation data.

https://www.ovito.org/

The MOLDY short-range molecular dynamics package

https://data.mendeley.com/datasets/jdxjvrkstw/1

MOLDY Keith Refson

http://www.ccl.net/cca/software/SOURCES/C/moldy/moldy.README.shtml

http://www2.myoops.org/twocw/mit/NR/rdonlyres/Materials-Science-and-Engineering/3-320Atomistic-Computer-Modeling-of-MaterialsSpring2003/2647EA8A-E528-41BD-9C67-8A6E4A1F4F58/0/moldy_handout.pdf

COD

Crystallography Open Database, Open-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers

http://www.nanocrystallography.org/

VESTA

Visualization for Electronic and STructural Analysis

http://jp-minerals.org/vesta/en/download.html

NIST

Interatomic Potentials Repository

https://www.ctcms.nist.gov/potentials/

DSSZ

"DSSZ"is the largest source code store in internet

https://www.dssz.org/

Materials Project

https://materialsproject.org/

Students

Magister

Umi Sa'adah

Korosi Besi dalam Logam Cair Timbal-magnesium menggunakan Metode Dinamika Molekul

Tesis, 2020

Dewi Azahra

Diploma

Feryna Ramadhany

EFEK TIMBAL CAIR PADA STRUKTUR LOGAM PADUAN FeNi PADA BERBAGAI TEMPERATUR: STUDI MENGGUNAKAN METODE DINAMIKA MOLEKUL

Skripsi. 2021

Nuril Fadila

EFEK BISMUTH CAIR PADA LOGAM PADUAN FeCr PADA BERBAGAI KOMPOSISI: KAJIAN DENGAN METODE DINAMIKA MOLEKUL

Skripsi. 2021

Hildayatul Karimah

KOMPARASI ANTARA POTENSIAL INTERAKSI LENNARD-JONES DAN MORSE UNTUK PERHITUNGAN KOEFISIEN DIFUSI BESI DALAM TIMBAL CAIR

Skripsi. 2021

Arief Maulana

Karakteristik Mekanik Fe dan Ni Beserta Paduannya (Fe-Ni): Nilai Kekuatan (Strength) dan Kekakuan (Stiffness) Bahan Menggunakan Simulasi Dinamika Molekul

Skripsi. 2019

Ayu Triwulandari

Verifikasi Potensial Lennard-Jones Besi dan Timbal Serta Aplikasinya untuk Studi Korosi Besi dalam Timbal Cair

Skripsi. 2019

Luq'il Ma'nun

Perhitungan Koefisien Difusi Diri Bergantung Temparatur Beberapa Logam Murni Pembentuk Baja Paduan dengan Metode Simulasi Dinamika Molekul dengan Potensial Morse

Skripsi. 2019

Rofiqoh Ulfatul Mardiyah

Perhitungan Nilai Energi Kohesif Beberapa Logam Menggunakan Potensial Lennard-Jones dengan Simulasi Dinamika Molekul Program LAMMPS

Skripsi. 2019.

Cut Yuniatul Maghfiroh

Parameter Potensial Lennard-Jones Logam Fe, Ni, Pb dan Cr Berdasarkan Nilai Titik Leleh Menggunakan Metode Dinamika Molekul Program LAMMPS

Skripsi. 2019

Ernik Dwi Safitri

Simulasi Dinamika Molekul Pengaruh Unsur (Cr,Ni) Pada Penghambatan Korosi Baja Fe-Cr/Ni Dalam Timbal Cair

Skripsi. 2017

Elfa Nurul Fathimah

Analisis Hubungan Titik Leleh dan Energi Kohesif Baja Paduan FeNi dengan Variasi Kandungan Ni (%) Menggunakan Simulasi Dinamika Molekul

Skripsi. 2017.

Fitriana Faizatu Zahroh

Perhitungan Modulus Young Bahan Logam Menggunakan Metode Dinamika Molekul

Skripsi. 2017

Muhammad Abul Basyar Imanullah

Formulasi Massa Jenis Timbal Cair Sebagai Fungsi Temperatur dan Tekanan Menggunakan Metode Simulasi Dinamika Molekul

Skripsi. 2017

Zainul Muzaki

Perhitungan Kapasitas Panas Menggunakan Metode Dinamika Molekul dengan Komputer Paralel

Skripsi. 2017

Chumaimah

Studi Nilai Koefisien Self-Diffusion Besi Murni Menggunakan Simulasi Dinamika Molekul dengan Potensial Lennard-Jones dan Morse

Skripsi. 2016.

Nur Sarafina Agustin

Simulasi Korosi Besi dalam Logam Cair: Penentuan Daerah Temperatur Operasi Mitigasi Korosi dengan Inhibitor Nitrogen

Skripsi. 2016.

Umi Sa'adah

Reduksi Korosi Besi dalam Logam PbBi Cair dengan Inhibitr Gas Mulia Menggunakan Simulasi Dinamika Molekul

Skripsi. 2015.

Vita Puji Lestari

Komparasi Bentuk-Bentuk Suku “Cross-Interaction” pada Simulasi Dinamika Molekul Potensial Lennard-Jones untuk Sistem Fe dalam Logam Cair Pb

Skripsi. 2015.

Ahmad Anwar Nuris

Desain Molekul Besi Berbentuk Bola dalam Timbal Cair Berbentuk Bola Menggunakan Software Packmol untuk Simulasi Dinamika Molekul

Skripsi. 2016.

Ahmad Bahar

Visualisasi dan Perhitungan Laju Difusi Atom Besi dalam Timbal Cair untuk Memahami Mekanisme Penghambatan Korosi Besi

Skripsi. 2015.

Nikodemus Umbu Janga Hauwali

Simulation of Formation of Icosahedral Structure in Solid-Liquid-Solid Phase Change Using Molecular Dynamics Methods

Jurnal ILMU DASAR. 17, no. 1 (2017): 19-24

Farisatul Lutfiah Arini

Studi Titik Leleh Besi (Fe) dan Timbal (Pb) Menggunakan Metode Dinamika Molekul

Skripsi. 2015.

Inna Mustafidah

Solusi Analitik Persamaan Schrodinger Atom Hidrogenik dalam Ruang Momentum

Skripsi. 2007.

Yuriati

Representasi Persamaan Schrodinger dan Aplikasinya untuk Problem Kuantum Sederhana dalam Ruang Momentum

Skripsi. 2006.

Supriyadi

Kode Komputer Berbasis Metode Elemen Hingga untuk Mengghitung Eigen Energi Atom Hidrogen

Skripsi. 2005.

Suhartono

Perhitungan Numeris Berbasis Delphi untuk Tampang Lintang Hamburan Elastik Kuantum Elektron-Argon dengan Metode Analisis Gelombang Parsial

Skripsi. 2004

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Dr. Artoto Arkundato

Brief CV

Research

Publications

Important Link

Software

Umi Sa'adah

Dewi Azahra

Feryna Ramadhany

Nuril Fadila

Hildayatul Karimah

Arief Maulana

Ayu Triwulandari

Luq'il Ma'nun

Rofiqoh Ulfatul Mardiyah

Cut Yuniatul Maghfiroh

Ernik Dwi Safitri

Elfa Nurul Fathimah

Fitriana Faizatu Zahroh

Muhammad Abul Basyar Imanullah

Zainul Muzaki

Chumaimah

Nur Sarafina Agustin

Umi Sa'adah

Vita Puji Lestari

Ahmad Anwar Nuris

Ahmad Bahar

Nikodemus Umbu Janga Hauwali

Farisatul Lutfiah Arini

Inna Mustafidah

Yuriati

Supriyadi

Suhartono

Keep in touch with me