Adam Michalchuk

2024

In situ investigation of controlled polymorphism in mechanochemistry at elevated temperature†

Linberg, K., Sander, P. C., Emmerling, F. & Michalchuk, A. A. L., 31 Jan 2024, (E-pub ahead of print) In: RSC Mechanochemistry.

Research output: Contribution to journal › Article › peer-review

Open Access

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2023

An atomistic mechanism for elasto-plastic bending in molecular crystals

Bhattacharya, B., Michalchuk, A. A. L., Silbernagl, D., Yasuda, N., Feiler, T., Sturm, H. & Emmerling, F., 7 Apr 2023, In: Chemical Science. 14, 13, p. 3441-3450 11 p.

Research output: Contribution to journal › Article › peer-review

Open Access

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Grinding the way to enantiopurification

Belenguer, A. M. & Michalchuk, A. A. L., 11 May 2023, In: Chem. 9, 5, p. 1076-1079 4 p.

Research output: Contribution to journal › Comment/debate › peer-review

High-pressure Structural Studies and Pressure-induced Sensitisation of 3,4,5-trinitro-1H-pyrazole

Atceken, N., Hemingway, J., Bull, C. L., Liu, X., Michalchuk, A. A. L., Konar, S., Morrison, C. & Pulham, C. R., 9 Nov 2023, (E-pub ahead of print) In: Physical Chemistry Chemical Physics.

Research output: Contribution to journal › Article › peer-review

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Is the impact sensitivity of RDX polymorph dependent?

Christopher, I. L., Pulham, C., Michalchuk, A. A. L. & Morrison, C. A., 28 Mar 2023, In: Journal of Chemical Physics. 158, 124115.

Research output: Contribution to journal › Article › peer-review

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Kinetics and basic understanding: general discussion

Angerhofer, A., Auvray, T., Balema, V., Baláž, M., Batteas, J. D., Blair, R. G., Boldyreva, E., Bolm, C., Borchardt, L., Borchers, T. H., Braunschweig, A. B., Browne, D. L., Carpick, R. W., Ciaccia, M., Craig, S., Emmerling, F., Ferguson, M., Fiore, C., Friščić, T., Grätz, S., & 25 othersHalasz, I., Hamzehpoor, E., Ito, H., James, S., Kim, J. G., Lamaty, F., Lampronti, G. I., Laurencin, D., Leitch, J., Lu, E., Lukin, S., Mack, J., Maini, L., Martini, A., Mazzeo, P. P., Michalchuk, A. A. L., Mittelette, S., Mohamed, S., Moores, A., Mortera-Carbonell, A. D. J., Nagapudi, K., Niidu, A., Puccetti, F., Stahorský, M. & Vugrin, L., 1 Jan 2023, In: Faraday Discussions. 241, p. 306-340 35 p.

Research output: Contribution to journal › Comment/debate › peer-review

Mechanistic Investigation of an Elastically Flexible Organic Crystal

Feiler, T., Yasuda, N., Michalchuk, A. A. L., Emmerling, F. & Bhattacharya, B., 3 Aug 2023, (E-pub ahead of print) In: Crystal Growth and Design. 23, 9, p. 6244-6249 6 p.

Research output: Contribution to journal › Article › peer-review

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Shared metadata for data-centric materials science

Ghiringhelli, L. M., Baldauf, C., Bereau, T., Brockhauser, S., Carbogno, C., Chamanara, J., Cozzini, S., Curtarolo, S., Draxl, C., Dwaraknath, S., Fekete, Á., Kermode, J., Koch, C. T., Kühbach, M., Ladines, A. N., Lambrix, P., Himmer, M., Levchenko, S. V., Oliveira, M., Michalchuk, A., & 15 othersMiller, R. E., Onat, B., Pavone, P., Pizzi, G., Regler, B., Rignanese, G., Schaarschmidt, J., Scheidgen, M., Schneidewind, A., Sheveleva, T., Su, C., Usvyat, D., Valsson, O., Wöll, C. & Scheffler, M., 14 Sept 2023, In: Scientific Data. 10, 1, 18 p., 626.

Research output: Contribution to journal › Article › peer-review

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The origin of delayed polymorphism in molecular crystals under mechanochemical conditions

Linberg, K., Szymoniak, P., Schönhals, A., Emmerling, F. & Michalchuk, A. A. L., 7 Sept 2023, (E-pub ahead of print) In: Chemistry: A European Journal. e202302150.

Research output: Contribution to journal › Article › peer-review

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The Thermodynamics and Kinetics of Mechanochemical Reactions: An Experimental Approach

Michalchuk, A., 6 Jul 2023, Mechanochemistry and Emerging Technologies for Sustainable Chemical Manufacturing. 1 ed. Routledge

Research output: Chapter in Book/Report/Conference proceeding › Chapter

Under Pressure: Offering Fundamental Insight into Structural Changes on Ball Milling Battery Materials

Driscoll, L., Driscoll, L., Dong, B., Sayed, F., Wilson, J., O'Keefe, C. A., Grey, C., Allan, P., Michalchuk, A. & Slater, P., 29 Aug 2023, (E-pub ahead of print) In: Energy & Environmental Science. 2023, 14 p.

Research output: Contribution to journal › Article › peer-review

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2022

Accurate extrinsic and intrinsic peak broadening modelling for time-resolved in situ ball milling reactions via synchrotron powder X-ray diffraction

Mazzeo, P. P., Lampronti, G. I., Michalchuk, A. A. L., Belenguer, A. M., Bacchi, A. & Emmerling, F., 12 Jul 2022, (E-pub ahead of print) In: Faraday Discussions.

Research output: Contribution to journal › Article › peer-review

Controlling polymorphism in molecular cocrystals by variable temperature ball milling

Linberg, K., Röder, B., Al-Sabbagh, D., Emmerling, F. & Michalchuk, A. A. L., 24 Jun 2022, (E-pub ahead of print) In: Faraday Discussions.

Research output: Contribution to journal › Article › peer-review

Open Access

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Designing Dual Mechanical Response in Molecular Crystals through Cocrystallization

Lakshmipathi, M., Dey, S., Emmerling, F., Bhattacharya, B., Michalchuk, A. A. L. & Ghosh, S., 7 Dec 2022, In: Crystal Growth and Design. 22, 12, p. 6838-6843 6 p.

Research output: Contribution to journal › Article › peer-review

4 Citations (Scopus)

Dispersive x-ray absorption spectroscopy for time-resolved in situ monitoring of mechanochemical reactions

Guilherme Buzanich, A., Cakir, C. T., Radtke, M., Haider, M. B., Emmerling, F., De oliveira, P. F. M. & Michalchuk, A. A. L., 1 Dec 2022, In: Journal of Chemical Physics. 157, 11 p., 214202.

Research output: Contribution to journal › Article › peer-review

Open Access

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FOX-7 high-energy-density material: thermal expansion and phase transitions revisited

McMonagle, C. J., Michalchuk, A. A. L. & Chernyshov, D., 1 Feb 2022, In: Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials. 78, p. 91-95 5 p.

Research output: Contribution to journal › Article › peer-review

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From lattice vibrations to molecular dissociation

Michalchuk, A. A. L. & Morrison, C. A., 1 Apr 2022, Molecular Modeling of the Sensitivities of Energetic Materials. Mathieu, D. (ed.). 1st ed. Elsevier, p. 215-232 18 p. (Theoretical and Computational Chemistry; vol. 22).

Research output: Chapter in Book/Report/Conference proceeding › Chapter

Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material

Aree, T., McMonagle, C. J., Michalchuk, A. A. L. & Chernyshov, D., 30 Jun 2022, In: Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials. 78, 3, p. 376-384 9 p.

Research output: Contribution to journal › Article › peer-review

Open Access

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Mechanical stimulation of energetic materials at the nanoscale

Kosareva, E. K., Gainutdinov, R. V., Michalchuk, A. A. L., Ananyev, I. V. & Muravyev, N. V., 21 Apr 2022, In: Physical Chemistry Chemical Physics. 24, 15, p. 8890-8900 11 p.

Research output: Contribution to journal › Article › peer-review

Plastically bendable organic crystals for monolithic and hybrid micro‐optical circuits

Ravi, J., Feiler, T., Mondal, A., Michalchuk, A. A. L., Reddy, C. M., Bhattacharya, B., Emmerling, F. & Chandrasekar, R., 20 Nov 2022, (E-pub ahead of print) In: Advanced Optical Materials. 2201518.

Research output: Contribution to journal › Article › peer-review

Open Access

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Quantitative reversible one pot interconversion of three crystalline polymorphs by ball mill grinding

Belenguer, A. M., Lampronti, G. I., Michalchuk, A. A. L., Emmerling, F. & Sanders, J. K. M., 21 Jun 2022, In: CrystEngComm. 24, 23, p. 4256-4261 6 p.

Research output: Contribution to journal › Article › peer-review

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The mechanochemical excitation of crystalline LiN₃

Michalchuk, A., 18 Jul 2022, (E-pub ahead of print) In: Faraday Discussions.

Research output: Contribution to journal › Article › peer-review

Open Access

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Time‐resolved in situ monitoring of mechanochemical reactions

Michalchuk, A. A. L. & Emmerling, F., 16 May 2022, In: Angewandte Chemie International Edition. 61, 21, 14 p., e202117270.

Research output: Contribution to journal › Review article › peer-review

Open Access

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Unintended rate enhancement in mechanochemical kinetics by using poly(methyl methacrylate) jars

Linberg, K., Emmerling, F. & Michalchuk, A. A. L., 29 Nov 2022, (E-pub ahead of print) In: Crystal Growth and Design. 2022, 5 p.

Research output: Contribution to journal › Article › peer-review

Open Access

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Using solid catalysts in disulfide‐based dynamic combinatorial solution‐ and mechanochemistry

Belenguer, A. M., Michalchuk, A. A. L., Lampronti, G. I. & Sanders, J. K. M., 8 Feb 2022, In: ChemSusChem. 15, 3, 7 p., e202102416.

Research output: Contribution to journal › Article › peer-review

2021

4.8 In Situ Methods for Monitoring Solid‐State Processes in Molecular Materials

Michalchuk, A. A. L., Kabelitz, A. & Emmerling, F., 1 Nov 2021, Solid State Development and Processing of Pharmaceutical Molecules: Salts, Cocrystals, and Polymorphism. Wiley, Vol. 79. p. 215-248 (Methods and Principles in Medicinal Chemistry).

Research output: Chapter in Book/Report/Conference proceeding › Chapter

Changing the game of time resolved X-ray diffraction on the mechanochemistry playground by downsizing

Lampronti, G. I., Michalchuk, A. A. L., Mazzeo, P. P., Belenguer, A. M., Sanders, J. K. M., Bacchi, A. & Emmerling, F., Dec 2021, In: Nature Communications. 12, 1, 9 p., 6134 .

Research output: Contribution to journal › Article › peer-review

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Elastic flexibility in an optically active naphthalidenimine-based single crystal

Feiler, T., Michalchuk, A. A. L., Schröder, V., List-Kratochvil, E., Emmerling, F. & Bhattacharya, B., 16 Nov 2021, In: Crystals. 11, 11, 9 p., 1397.

Research output: Contribution to journal › Article › peer-review

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High-pressure reversibility in a plastically flexible coordination polymer crystal

Liu, X., Michalchuk, A. A. L., Bhattacharya, B., Yasuda, N., Emmerling, F. & Pulham, C. R., Dec 2021, In: Nature Communications. 12, 1, 8 p., 3871 .

Research output: Contribution to journal › Article › peer-review

Open Access

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Monitoring mechanochemical processes in situ and in real time

Michalchuk, A. A. L., Kabelitz, A. & Emmerling, F., 25 Feb 2021, Nontraditional Activation Methods in Green and Sustainable Applications: Nontraditional Activation Methods in Green and Sustainable Applications. Török, B. & Schäfer, C. (eds.). 1st ed. Elsevier, p. 369-419 51 p. (Advances in Green and Sustainable Chemistry).

Research output: Chapter in Book/Report/Conference proceeding › Chapter

Predicting the impact sensitivities of energetic materials through zone-center phonon up-pumping

Michalchuk, A. A. L., Hemingway, J. & Morrison, C. A., 14 Feb 2021, In: The Journal of Chemical Physics. 154, 6, 11 p., 064105.

Research output: Contribution to journal › Article › peer-review

Open Access

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Predicting the impact sensitivity of a polymorphic high explosive: the curious case of FOX-7

Michalchuk, A. A. L., Rudić, S., Pulham, C. R. & Morrison, C. A., 4 Nov 2021, In: Chemical Communications. 57, 85, p. 11213-11216 4 p.

Research output: Contribution to journal › Article › peer-review

Open Access

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Towards computational screening for new energetic molecules: calculation of heat of formation and determination of bond strengths by local mode analysis

Christopher, I. L., Michalchuk, A. A. L., Pulham, C. R. & Morrison, C. A., 20 Jul 2021, In: Frontiers in Chemistry. 9, 13 p., 726357.

Research output: Contribution to journal › Article › peer-review

Open Access

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Tribochemistry, mechanical alloying, mechanochemistry: what is in a name?

Michalchuk, A. A. L., Boldyreva, E. V., Belenguer, A. M., Emmerling, F. & Boldyrev, V. V., 26 May 2021, In: Frontiers in Chemistry. 9, 29 p., 685789.

Research output: Contribution to journal › Article › peer-review

Open Access

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Tuning the mechanical flexibility of organic molecular crystals by polymorphism for flexible optical waveguides

Feiler, T., Bhattacharya, B., Michalchuk, A. A. L., Rhim, S-Y., Schröder, V., List-Kratochvil, E. & Emmerling, F., 14 Sept 2021, In: CrystEngComm. 23, 34, p. 5815-5825 11 p.

Research output: Contribution to journal › Article › peer-review

Open Access

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2020

Mechanochemical Syntheses of Isostructural Luminescent Cocrystals of 9-Anthracenecarboxylic Acid with two Dipyridines Coformers

Feiler, T., Bhattacharya, B., A. l. michalchuk, A., Schröder, V., List-Kratochvil, E. & Emmerling, F., Oct 2020, In: Crystals. 10, 10, p. 889

Research output: Contribution to journal › Article › peer-review

Tandem X-ray absorption spectroscopy and scattering for in situ time-resolved monitoring of gold nanoparticle mechanosynthesis

Oliveira, P. F. M. D., Michalchuk, A. A. L., Buzanich, A. G., Bienert, R., Torresi, R. M., Camargo, P. H. C. & Emmerling, F., 2020, In: Chemical Communications.

Research output: Contribution to journal › Article › peer-review

The Volumetric Source Function: Looking Inside van der Waals Interactions

Tantardini, C., Michalchuk, A. A. L., Samtsevich, A., Rota, C. & Kvashnin, A. G., 1 Dec 2020, In: Scientific Reports. 10, 1

Research output: Contribution to journal › Article › peer-review

Open Access

2019

A Comparative Study of the Ionic Cocrystals NaX (α- d -Glucose) 2 (X = Cl, Br, I)

Linberg, K., Ali, N. Z., Etter, M., Michalchuk, A. A. L., Rademann, K. & Emmerling, F., 7 Aug 2019, In: Crystal Growth and Design. 19, 8, p. 4293-4299

Research output: Contribution to journal › Article › peer-review

An acetonitrile-solvated cocrystal of piroxicam and succinic acid with co-existing zwitterionic and non-ionized piroxicam molecules

Liu, X., Michalchuk, A. A. L., Pulham, C. R. & Boldyreva, E. V., 1 Jan 2019, In: Acta Crystallographica Section C Structural Chemistry.

Research output: Contribution to journal › Article › peer-review

Ball size or ball mass – what matters in organic mechanochemical synthesis?

Michalchuk, A. A. L., Tumanov, I. A. & Boldyreva, E. V., 7 Apr 2019, In: CrystEngComm. 21, 13, p. 2174-2179 6 p.

Research output: Contribution to journal › Article › peer-review

Open Access

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Enhancing the Pharmaceutical Properties of Pirfenidone by Mechanochemical Cocrystallization

Kumari, N., Bhattacharya, B., Roy, P., Michalchuk, A. A. L., Emmerling, F. & Ghosh, A., 2019, In: Crystal Growth and Design.

Research output: Contribution to journal › Article › peer-review

High-Pressure Study of Two Polymorphs of 2,4,6-Trinitrotoluene Using Neutron Powder Diffraction and Density Functional Theory Methods

Konar, S., Michalchuk, A. A. L., Sen, N., Bull, C. L., Morrison, C. A. & Pulham, C. R., 31 Oct 2019, In: The Journal of Physical Chemistry C.

Research output: Contribution to journal › Article › peer-review

Adam Michalchuk

Research output

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