Recent Publications: 九色导航 Tech

2026

Choudhuri, D., and Chowdhury, R.A.(2026), "Untangling Linker Dynamics in a Metal-Organic Framework using Ab Initio Molecular Dynamics and Physics-informed Machine Learning", Computational Materials Science, 261, p.114285.

2025

Rohbeck, N., Watroba, M., Gunderson, C., Groetsch, A., Jain, M., Niemel盲, J.P., Borzi, A., Utke, I., Maeder, X., Neels, A. and Michler, J., 2025. Microscale additively manufactured 3D metal-ceramic nanocomposites with improved strength and thermal stability. Additive Manufacturing, p.104957
Chowdhury, R.A., Ghose, B. and Choudhuri, D., 2025. Uncovering the Role of Critical Bonds in the Thermomechanical Response of Zn2 (1, 4-benzenedicarboxylate) 2 (1, 4-diazabicyclo [2, 2, 2] octane) Using Ab Initio Simulations and Physics-Constrained Neural Networks. Langmuir, 41(19), pp.12348-12364.
Hasan, M.M. and Choudhuri, D., (2025), "Metastable states assisted homogeneous nucleation in supercooled liquid aluminum alloys: Insights from a phenomenologically coupled atomistic, phase-field, and machine learning investigation." The Journal of chemical physics, 162(8), p.084501.
Valdez, A. and Fuierer, P., 2025. Dry aerosol deposition of barium neodymium titanate microwave dielectric. International Journal of Applied Ceramic Technology, p.e70039.
R. Borrego, D. Mercado, P. Fuierer, 鈥淚ncreased Bend Strength of Glass by Dry Aerosol Deposition of Alumina鈥�, Ceramics Int鈥檒, Available Online March 19 (2025).
Liu, Y., Yang, C., Gaertner, G., Huckabee, J., Suslov, A.V., Refael, G., Nathan, F., Lewandowski, C., Foa Torres, L.E., Esin, I. and Barbara, P., Kalugin, N.G., 2025. Signatures of Floquet electronic steady states in graphene under continuous-wave mid-infrared irradiation. Nature Communications, 16(1), p.2057.
Yeasmin, N., Pilli, J., McWilliams, J., Norris, S. and Bhattacharjee, A., 2025. Tannic Acid-Loaded Antibacterial Hydroxyapatite-Zirconia Composite for Dental Applications. Crystals, 15(5), p.396.
Lukman Abubakar, Gwenevere Gatto, Jack E Burgman, and Arjak Bhattacharjee, Repurposing polyethylene terephthalate (PET) waste as an antibacterial packaging material, MRS Communications, May 2025
Joel Pilli, Gwenevere Gatto, Sameer Jain, and Arjak Bhattacharjee, Manganese Dioxide and Cobalt Oxide Doped Hydroxyapatite with Curcumin for Orthopedic and Dental Applications, Journal of Materials Research, March 202

2024

Boyd, B., Choudhuri, D. and Bobbitt, N.S., (2024), "Ab Initio Molecular Dynamics Investigation of Water and Butanone Adsorption on UiO-66 with Defects". Langmuir, 40(45), pp.23654-23672.
Choudhuri, D., Rinehart. A.J., (2024),"", Journal of Applied Physics, 135(16), p.65103.
Choudhuri, D. and Lee, A., (2024),"Ab initio molecular dynamics study of interactions between isolated polyhedral oligomeric silsesquioxane trisilanols and aluminum". Computational Materials Science, 239, p.112985.
Hasan, M.M., Srinivasan, S.G. and Choudhuri, D., (2024), "Transformation-and twinning-induced plasticity in phase-separated bcc Nb-Zr alloys: an atomistic study". Journal of Materials Science, 59(12), pp.4728-4747. (Invited article)
Janin EssaryVirginia McLemore and Paul Fuierer, "Extracting Aluminum Oxide from Kaolinite", Conference Proceeding: 九色导航 Geological Society Annual Spring Meeting, April 2024 DOI: 10.56577/SM-2024.2965
Abubakar, L., Jain, S., Ahlen, I. and Bhattacharjee, A., 2024. Turmeric-coated sustainable concrete with antibacterial properties. MRS Communications, pp.1-7.
Lukman Abubakar, Nusrat Yeasmin, and Arjak Bhattacharjee, Waste Polyethylene terephthalate (PET) as a partial replacement of aggregates in sustainable concrete, Construction Materials, December 2024
Claire Putelli, Joel Pilli, Gwenevere Gatto, and Arjak Bhattacharjee, 2024 Tannic Acid-Loaded MgO and ZnO 鈥� Doped Antibacterial Hydroxyapatite for Orthopedic and Dental Applications, Journal of Metals (JOM), Invited article.
Arjak Bhattacharjee, Sara Rudolph, and David L. Kaplan*, Thermoplastic molding of silk-curcumin sustainable composite materials with anti-bacterial properties, ACS Applied Biomaterials Journal, 2024
Nath, J., Philips, R., Pilli, J. and Bhattacharjee, A., 2025. Polydopamine-based Surface Modifications for Tissue Engineering and Biosensing: From Understanding Chemistry to Diverse Applications. JOM, pp.1-16. (Invited article)

2023

Wilkinson, H., Boyd, B.*, O鈥機onnell, J.M., Knox, R., Rinehart, A.J., Majumdar, B.S. and Choudhuri, D., (2023). "". Journal of Applied Physics, 133(12), p.124902.
S. Fuierer, N. Manz, M. Hargather, P. Fuierer, "Design of an Explosive Micro-Particle Accelerator to Simulate Micrometeoroid Impacts in Space", Int'l J. Student Proj. Reporting, 1 (4) 301-327 (2023). DOI: 10.1504/IJSPR.2023.10055828
D. E. Moreno, C. Z. Hargather, "Thermodynamic properties as a function of temperature of AlMoNbV, NbTaTiV, NbTaTiZr, AlNbTaTiV, HfNbTaTiZr, and MoNbTaVW refractory high-entropy alloys from first-principles calculations", Solids, accepted, October 2023 [invited article].
D. C. Purcell, M. J. Hargather, C. Z. Hargather, "Shear and combustion characterization of printable ammonium perchlorate composite propellant formulations", Propellants, Explosives, Pyrotechnics, accepted, September 2023.
Simmons, J.D., Wang, S., Luhmann, A.J., Rinehart, A.J., Heath, J.E. and Majumdar, B.S., 2023. Paragenetic controls on CO2-fluid-rock interaction and weakening in a macroporous-dominated sandstone. Applied Geochemistry, 156, p.105744.
N. Manz, P. Fuierer, 鈥淢athematical Approach to Optimizing the Panchromatic Absorption of Natural Dye Combinations for Dye-Sensitized Solar Cells鈥�, Colorants 2(1) 90-110 (2023). . doi.org/10.3390/colorants2010007
R. Calvo and P. Fuierer, 鈥淢echanical integrity of ceramic coatings on Kapton made by a dry aerosol deposition of lunar mare simulant鈥�, Int J Appl Ceram Technol. 20 (1) (2023) ;395-409. https://doi.org/10.1111/ijac.14235

2022

Choudhuri, D., Majumdar, B.S. and Wilkinson, H*., (2022). 鈥�鈥�. Physical Review Materials, 6(10), p.103406.
Eshed, E., Choudhuri, D. and Osovski, S., (2022). 鈥�鈥�. Acta Materialia, p.117985.
A. Simmons, A. Rinehart, P. Luhmann, P. Mozley, J. Heath, B.S. Majumdar, Using petrographically observable microstructure to predict hydromechanical changes in a complex siliciclastic storage site during CO2 injection, International Journal of Greenhouse Gas Control 119 (2022) 103724.
C. Z. Hargather, J. M. O'Connell, "A systematic first-principles study of computational parameters affecting self-diffusion coefficients in FCC Ag, Cu, and Ni", Journal of Phase Equilibria and Diffusion, vol. 43, issue 6, (2022).
K. D Mojtabai, S. J. Lindholm, B. T McReynolds, N. Penners, J. D McCoy, S. Chowdhury, Y. Lee Diels鈥揂lder Augmented Epoxies with Plasmonic Nanoparticle Fillers for Efficient Photothermal Depolymerization, ACS Appl. Polym. Mater. (2022), 4, 4, 2703鈥�2711

2021

Choudhuri, D., (2021).鈥�鈥�. Computational Materials Science,187, p.110111.
Choudhuri, D., Matteson, S. and Knox, R., (2021). 鈥�鈥�. Scripta Materialia, 199, p.113857.
Choudhuri, D. and Blake, L., (2021). 鈥�鈥�. Journal of Materials Science, 56(12), pp.7474-7493. (Article was a finalist for the prestigious Robert Wolfgang Cahn award.)
Ted E. Bunch, Malcolm A. LeCompte, A. Victor Adedeji, James H. Wittke, T. David Burleigh, Robert E. Hermes, Charles Mooney, Dale Batchelor, Wendy S. Wolbach, Joel Kathan, Gunther Kletetschka, Mark C.L. Patterson, Edward C. Swindel, Timothy Witwer, George A. Howard, Siddhartha Mitra, Christopher R. Moore, Kurt Langworthy, James P. Kennett, Allen West, Phillip J. Silvia, 鈥淓vidence that a 1650-BCE Tunguska-sized Airburst destroyed Tall el-Hammam, a Middle-Bronze-Age city in the Jordan Valley near the Dead Sea,鈥� Scientific Reports (Sept- 2021), .
K. N. Macowski, C. Z. Hargather, "A first-principles study of self-diffusion and dilute solute diffusion of Au in FCC Ag", Computational Materials Science, 193 (2021) 110414, Editor's Choice.
J. D. Strother, C. Z. Hargather, "Statistical data set for first-principles calculations of stacking fault energies in an AlNbTaTiV high entropy alloy", Data in Brief, 34, (2021) 106670.
C. Z. Hargather, Efficient first-principles methodologies for calculating stacking fault energy in FCC and BCC high-entropy alloys, Chapter in Book: Fundamentals of High Entropy Materials, Ed: J. Brechtl and P. K. Liaw, Springer, (2021).

2020

Paranjape, P., Srinivasan, S.G. and Choudhuri, D., (2020). "C". Journal of Applied Physics, 128(14), p.145103.
Choudhuri, D. and Majumdar, B.S., (2020). "". Materialia, 12, p.100816.
Choudhuri, D. and CampBell, A.**, (2020). "". Computational Materials Science, 177, p.109577.
Choudhuri, D, Srinivasan, S.G. and Mishra, R.S., (2020). 鈥�鈥�. International Journal of Plasticity, 125, pp.191-209
G.K. Egert and T.D. Burleigh, 鈥淚mproved Reproducibility of D2 Tool Steel after Cryo-Treating at -78掳C (Dry Ice),鈥� Materials & Corrosion Engineering Management (MACEM), 1 (1) (2020), 21-24. https://macej.com.my/1macem2020-21-24/
J. S. Strother, C. Z. Hargather, 鈥淪tacking fault energies in quinary BCC high entropy alloys calculated using density functional theory, analyzed with inferential statistics鈥�, Materialia, 14, (2020) 100927.
K. Obi, L. Frolova, P. Fuierer, Preparation and performance of prickly pear (Opuntia phaeacantha) and mulberry (Morus rubra) dye-sensitized solar cells, Solar Energy, 208, 312-320 (2020). doi.org/10.1016/j.solener.2020.08.006
P. Fuierer, R. Calvo, G. Strobel, 鈥淒ense, Nano-grained, Multi-Phase Ceramic Coatings by Dry Aerosol Deposition of Lunar Regolith Simulant鈥�, Add. Manuf. 35 101304 (2020). https://doi.org/10.1016/j.addma.2020.101304
B.S. Majumdar, I. Dutta, S. Bhassyvasantha, S. Das Mahapatra, Recent Advances in Mitigation of Whiskers from Electroplated Tin, J. of Metals 72(2) (2020) 906-917.
M.V. McLeod, D. Bayer, Z. Turgut, A.K. Giri, B.S. Majumdar, Significant enhancement of magnetocaloric effect in a NiMnCuGa Heusler alloy through textural modification, J. Appl. Phys. 127(22) (2020) 11.
Z. Wu, A.J. Luhmann, A.J. Rinehart, P.S. Mozley, T.A. Dewers, J.E. Heath, B.S. Majumdar, Chemo-mechanical Alterations Induced from CO2 Injection in Carbonate-Cemented Sandstone: An Experimental Study at 71 degrees C and 29 MPa, J. Geophys. Res.-Solid Earth 125(3) (2020) 25.
S.V. Prasad, J.R. Michael, C.C. Battaile, B.S. Majumdar, P.G. Kotula, Tribology of single crystal nickel: Interplay of crystallography, microstructural evolution, and friction, Wear 458-459 (2020) 203320.
C.S. Stevenson, J.G. Curro, J.D. McCoy, Gruneisen parameters of bead-spring chains: MD simulation and theory, J. Chem. Phys. 153, 244903 (2020).
P. Fuierer, M. Hinton, Aerosol Method for Coating, US Patent 10,792,703

2019

R. D. Rajapaaksha, P. A. Fuierer, M. I. Ranasinghe, 鈥淐olloidal CuZnInS3 nanocrystals as the sensitizer in photovoltaic solar cells鈥�, Solar Energy 189 (2019) 503-509.
Andrew W. Knight, Nikolai G. Kalugin, Eric Coker, Anastasia G. Ilgen
Water properties under nano-scale confinement. Scientific Reports (a Nature journal) 9, 8246 (2019) https://www.nature.com/articles/s41598-019-54000-9
Lindsay Candelaria, Peter N. Kalugin, Brian M. Kowalski, Nikolai G. Kalugin, Covalent Epitope Decoration of Carbon Electrodes using Solid Phase Peptide Synthesis. Scientific Reports (a Nature journal) 9, 17805 (2019) https://www.nature.com/articles/s41598-019-44651-z
Brian M Kowalski1, Noah Manz1, Donald Bethke, Eric A Shaner, Alexey Serov and Nikolai G Kalugin Role of humidity in oxidation of ultrathin GaSe. Mater. Res. Express 6, 085907 (2019) https://iopscience.iop.org/article/10.1088/2053-1591/ab1dd2/meta
B.S. Majumdar, I. Dutta, S. Bhassyvasantha, and S. Das Mahapatra, 鈥楻ecent Advances in the Mitigation of Whiskers from Electroplated Tin鈥�, J. of Metals, Dec 2019; https://doi.org/10.1007/s11837-019-03933-7.
J.D. McCoy, W.B. Ancipink, S.R. Maestas, L.R. Draelos, D.B. Devries, J.M. Kropka, Reactions of DGEBA epoxy cured with diethanolamine: Isoconversional kinetics and implications to network structure,
Thermochimica Acta 671149-160 (2019).
G.K. Arechederra, J.D. McCoy, J.M. Kropka, Interplay between chemical and physical aging in diethanolamine cured diglycidyl ether of bisphenol-A (DGEBA) epoxy, Polymer 185, 121937 (2019).

2018

M.M. Schmitt, P.R. Bowden, B.C. Tappan, D. Henneke, Steady-state shock-driven reactions in mixtures of nano-sized aluminum and dilute hydrogen peroxide, J. Energ. Mater. 36(3) (2018) 266-277.
K. Ring, P. Fuierer, Quasi-Equilibrium, Multifoil Platelets of Copper- and Titanium-Substituted Bismuth Vanadate, Bi2V0.9(Cu0.1-xTix)O5.5-delta, by Molten Salt Synthesis, Crystals 8(4) (2018) 13.
C.Z. Hargather, S.L. Shang, Z.K. Liu, A comprehensive first-principles study of solute elements in dilute Ni alloys: Diffusion coefficients and their implications to tailor creep rate, Acta Mater. 157 (2018) 126-141.
L. Candelaria, L.V. Frolova, B.M. Kowalski, K. Artyushkova, A. Serov, N.G. Kalugin, Surface-modified three-dimensional graphene nanosheets as a stationary phase for chromatographic separation of chiral drugs, Sci Rep 8 (2018) 10.
S. Bhassyvasantha, N. Fredj, S.D. Mahapatra, W. Jennings, I. Dutta, B.S. Majumdar, Whisker Mitigation Mechanisms in Indium-Doped Tin Thin Films: Role of the Surface, Journal of Electronic Materials 47(10) (2018) 6229-6240.
J. Adamczyk, P. Fuierer, Compressive stress in nano-crystalline titanium dioxide films by aerosol deposition, Surf. Coat. Technol. 350 (2018) 542-549.
S. Khalifeh, T.D. Burleigh, Super-hydrophobic stearic acid layer formed on anodized high purified magnesium for improving corrosion resistance of bioabsorbable implants, J. Magnesium and Alloys 6 (2018) 327-336

2017

C.S. Stevenson, J.G. Curro, J.D. McCoy, The glass transition temperature of thin films: A molecular dynamics study for a bead-spring model, J. Chem. Phys. 146(20) (2017) 10.
D. Miracle, B. Majumdar, K. Wertz, S. Gorsse, New strategies and tests to accelerate discovery and development of multi-principal element structural alloys, Scripta Materialia 127 (2017) 195-200.
N.G. Kalugin, A.J. Roy, K. Artyushkova, A. Serov, Synthesis, characterization, and photoluminescence of Er2O3-Er2SO2 nanoparticles on reduced graphene oxide, Nanotechnology 28(19) (2017) 6.
N.G. Kalugin, L. Jing, E.S. Morell, G.C. Dyer, L. Wickey, M. Ovezmyradov, A.D. Grine, M.C. Wanke, E.A. Shaner, C.N. Lau, L. Torres, M.V. Fistul, K.B. Efetov, Photoelectric polarization-sensitive broadband photoresponse from interface junction states in graphene, 2D Mater. 4(1) (2017) 12.
K.H. Kaisar, C. Hofmeister, A. Pedigo, A.K. Giri, Y. Sohn, K.C. Cho, M. van den Bergh, B.S. Majumdar, Tensile properties and microstructure of a cryomilled nanograined Al-Mg alloy near the AA5083 composition, Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing 705 (2017) 239-248.
S. Das Mahapatra, B.S. Majumdar, I. Dutta, S. Bhassyvasantha, Eliminating Whisker Growth by Indium Addition in Electroplated Sn on Copper Substrate, Journal of Electronic Materials 46(7) (2017) 4062-4075.
G.K. Arechederra, L.R. Draelos, W.B. Ancipink, J.D. McCoy, J.M. Kropka, The insulating effect of the low thermal conductivity of epoxy on the resolution of the heat of reaction during polymerization by differential scanning calorimetry, Thermochim. Acta 656 (2017) 144-150.

2016

L. Meinshausen, S. Bhassyvasantha, B.S. Majumdar, I. Dutta, Influence of Indium Addition on Whisker Mitigation in Electroplated Tin Coatings on Copper Substrates, Journal of Electronic Materials 45(1) (2016) 791-801.
J.D. McCoy, W.B. Ancipink, C.M. Clarkson, J.M. Kropka, M.C. Celina, N.H. Giron, L. Hailesilassie, N. Fredj, Cure mechanisms of diglycidyl ether of bisphenol A (DGEBA) epoxy with diethanolamine, Polymer 105 (2016) 243-254.
J. Exner, M. Schubert, D. Hanft, T. Stocker, P. Fuierer, R. Moos, Tuning of the electrical conductivity of Sr(Ti,Fe)O-3 oxygen sensing films by aerosol co-deposition with Al2O3, Sens. Actuator B-Chem. 230 (2016) 427-433.
C.M. Clarkson, J.D. McCoy, J.M. Kropka, Enthalpy recovery and its relation to shear response in an amine cured DGEBA epoxy, Polymer 94 (2016) 19-30.
T.Q. Chen, B.S. Majumdar, Synthesis and reactivity of asymmetric bis(sulfonyl) imides, Main Group Chemistry 15(4) (2016) 375-382.
S. Banerjee, I. Dutta, B.S. Majumdar, A molecular dynamics evaluation of the effect of dopant addition on grain boundary diffusion in tin: Implication for whisker growth, Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing 666 (2016) 191-198.
I. Ayan, A. Fairbrother, P.A. Fuierer, Vertical orientation of short wires using a monolayer of spheres, Part. Sci. Technol. 34(6) (2016) 744-753.

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