Article
Materials Science, Multidisciplinary
A. I. Kartamyshev, A. G. Lipnitskii, V. N. Maksimenko, A. V. Vyazmin, I. V. Nelasov, D. O. Poletaev
Summary: We have developed a new classical interatomic potential for molecular dynamics simulations of copper. This potential accurately predicts a wide range of properties of copper, including its structure, elasticity, defects, and melting point. It also shows good agreement with experimental data for lattice and grain-boundary diffusion of copper.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Akarsh Verma, Oliver K. Johnson, Gregory B. Thompson, Ian Chesser, Shigenobu Ogata, Eric R. Homer
Summary: This study examines non-Arrhenius grain boundary migration, referred to as antithermal migration, in an incoherent twin & sigma;3 [111] 60 degrees (11 8 5) nickel grain boundary. Molecular dynamics simulations are used to investigate the effect of various factors on migration, and a classical model for grain boundary migration is employed to analyze the results. The findings reveal that the migration mechanisms of the grain boundaries exhibit low apparent barrier heights and show similarities in behavior across different interatomic potentials.
Article
Chemistry, Physical
Victor Tcherdyntsev, Alexey Rodin
Summary: The common behavior of grain boundary diffusion in metallic systems based on Cu, Ni, Ag and Al was analyzed. The slow penetration for these systems was found to be related to negative segregation or specific interatomic interaction. Two energetic parameters, namely the energy of interaction with GB and the energy of interatomic interaction, were proposed as main characteristics. By analyzing the tendency toward segregation and intermediate phase formation, the systems can be divided into four groups and a qualitative way to predict the behavior of diffusing elements in a non-dilute solution was formulated. Mathematical formulation of the GB diffusion problem and typical solutions were presented.
Article
Multidisciplinary Sciences
Zongyi Ma, Zhiliang Pan
Summary: In this study, the segregation energy was modeled using efficient machine learning with physics-informed features. These features outperformed the many features used in the literature and achieved a balance between accuracy and feature dimension. The strong relevance to segregation energies and the mutual independence ensured by physics contribute to their excellence.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Physical
Shushu Gao, Jiamin Yuan, Zhiqiang Liu, Caiyi Lou, Zhengxi Yu, Shutao Xu, Anmin Zheng, Pengfei Wu, Yingxu Wei, Zhongmin Liu
Summary: Adsorption and diffusion are crucial steps in zeolite-based processes for gas separation and catalysis. Pore dimensions, shapes, and types govern the behavior of guest molecules. Xenon atom was used as a probe to study the adsorption process in DNL-6 molecular sieves, showing that D8R is the preferential adsorption site and the mass transport becomes limited as loading increases. Molecular simulations predict the interaction energies and visual display the adsorption properties, aiding in understanding the diffusion behavior and mass transport limitations.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Materials Science, Multidisciplinary
Brendon Waters, Daniel S. Karls, Ilia Nikiforov, Ryan S. Elliott, Ellad B. Tadmor, Brandon Runnels
Summary: We propose a systematic method for quantifying properties of grain boundaries (GBs) for arbitrary interatomic potentials (IPs), GB character, and lattice structure and species within the OpenKIM framework. GB energy data for Al, Ni, Cu, Fe, and Mo with 225 IPs are generated and installed on openkim.org. The results show that the energy predicted by all stable IPs correlate closely with the energy from the model, indicating that the GB energy versus tilt angle is dominated more by geometry than the choice of IP.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Physics, Applied
Qinglin Wang, Haiwa Zhang, Susu Duan, Peifang Li, Tianji Ou, Dandan Sang, Guozhao Zhang, Hui Jiao, Xin Zhang, Ying Shi, Yinwei Li, Cailong Liu
Summary: This study investigated the evolution of carrier transport properties of SrH2 under pressure-induced structural phase transition, revealing a significant decrease in resistance by about four orders of magnitude after the phase transition. The research provides valuable insights into the structure-conduction relationship and the role of grain boundaries in the transport process.
APPLIED PHYSICS LETTERS
(2022)
Article
Nanoscience & Nanotechnology
Kiran Prasai, Riccardo Bassiri, Hai-Ping Cheng, Martin M. Fejer
Summary: The glass transition temperatures of common binary oxides are estimated using pair distribution functions (PDFs) from ab initio molecular dynamics simulations. The results are in agreement with measured values for good glass-formers, such as silica, germania, and boron oxide. The glass transition temperatures of alumina, tantala, and telluria with low glass-forming ability are also calculated, and the possibility of extracting the glass transition temperature from scattering measurements is discussed.
Article
Materials Science, Multidisciplinary
B. Bian, S. Taheriniya, G. Mohan Muralikrishna, A. Godha, S. K. Makineni, S. Sankaran, B. B. Straumal, Y. Du, G. Wilde, S. V. Divinski
Summary: Kinetic and structural changes induced by Bi alloying in dilute Ni-Bi alloys were investigated, focusing on grain boundary phase transitions. The grain boundary diffusion of Ni in the Ni-Bi alloys was measured across single and two-phase regions of the bulk phase diagram. The results showed that the Ni grain boundary diffusion rates were dependent on the Bi concentration and were influenced by Bi segregation and multi-layer Bi segregation along the grain boundaries. The presence of a liquid layer of Bi at the grain boundaries resulted in the highest Ni diffusivity. Additionally, structural transitions between different grain boundary phases were found to have a significant impact on the grain boundary diffusion rates.
Article
Chemistry, Multidisciplinary
Hsiang-Hou Tseng, Hung-Che Liu, Min-Hsun Yu, Jia-Juen Ong, Dinh-Phuc Tran, Chih Chen
Summary: Copper joints have replaced solder interconnects in integrated circuits due to their great electrical properties and lower-temperature processing. To isolate Cu from oxidizing during bonding processes, a (111)-oriented nanotwinned Ag (NT-Ag) thin layer was electroless-deposited on a (111)-oriented NT-Cu film. The microstructures of the Ag films were then analyzed, showing that columnar NT-Ag grains epitaxially grew along the columnar NT-Cu grains. Additionally, the bonding strength of the Cu-Ag joints was found to be higher than that of the Ag-Ag joints, possibly due to the greater diffusion rate of Ag atoms in Cu than the self-diffusion of Ag.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Materials Science, Multidisciplinary
V. N. Maksimenko, A. G. Lipnitskii, A. Kartamyshev, D. O. Poletaev, Yu R. Kolobov
Summary: The study presented a new interatomic potential for tungsten that can accurately reproduce the experimental values of melting temperature and thermal expansion, as well as the diffusion coefficient. The developed potential is applicable for simulating processes involving diffusion, such as irradiation damage.
COMPUTATIONAL MATERIALS SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
D. Smirnova, S. Starikov
Summary: We conducted a classical atomistic study on hydrogen diffusion in a-Fe and y-Fe in the presence of grain boundaries, surfaces, or vacancies. Defects of different complexion, which act as pronounced traps for hydrogen, play a significant role in the diffusion mechanisms related to hydrogen embrittlement. By using a recently developed interatomic potential, we estimated the potential impact of these defects on hydrogen diffusion. Our results showed that the interaction between hydrogen and defects strongly depends on the host Fe structure, with grain boundaries and surfaces accelerating diffusion in fcc Fe but not in bcc Fe, and the binding of hydrogen with a mono-vacancy leading to a reduction in vacancy migration rate for both lattice types. We also discussed the equilibrium hydrogen concentrations at grain boundaries and the role of hydrogen located in grain boundaries in the overall hydrogen flux in a polycrystal.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Physics, Applied
Shi-Yi Li, Cheng-Wei Wu, Long-Ting Liu, Hui-Ling Kuang, Yu-Jia Zeng, Dan Wu, Guofeng Xie, Wu-Xing Zhou
Summary: In this study, a machine-learning potential approach combined with first-principles calculations and the Boltzmann transport theory was used to investigate the effect of lithium-ion de-embedding on the thermal conductivity of LiFePO4. It was found that the thermal conductivity significantly decreases with increasing lithium-ion concentration due to shorter phonon lifetimes. Removal of lithium ions from different sites at a given concentration leads to different thermal conductivities, attributed to varying bond lengths and bond strengths. This work provides a fundamental understanding of the thermal transport properties of lithium iron phosphate batteries and emphasizes the importance of lithium-ion detachment and intercalation in thermal management of electrochemical energy storage devices.
APPLIED PHYSICS LETTERS
(2023)
Article
Materials Science, Multidisciplinary
S. Starikov, A. Abbass, R. Drautz, M. Mrovec
Summary: This study investigates temperature-induced disordering transitions of grain boundaries in body-centered cubic metals using classical atomistic simulations. The study reveals that gradual heating leads to continuous disordering of the grain boundary structure, accompanied by two complexion transitions, analogous to transitions described by the Berezinskii-Kosterlitz-Thouless-Halperin-Nelson-Young theory.
Article
Materials Science, Multidisciplinary
I. Chesser, R. K. Koju, A. Vellore, Y. Mishin
Summary: Atomistic computer simulations are used to investigate the atomic structure, thermal stability, and diffusion processes at the Al-Si interphase boundaries in composite materials. It is found that some stable orientation relationships observed in epitaxy experiments also exist at these interfaces. An interface-induced recrystallization mechanism can transform non-equilibrium interfaces into more stable states. Diffusion of Al and Si atoms in stable Al-Si interfaces is slower compared to diffusion in Al grain boundaries but can be accelerated in the presence of interface disconnections. A qualitative explanation for the sluggish interphase boundary diffusion is proposed, involving correlated atomic rearrangements in the form of strings and rings of collectively moving atoms.
Article
Materials Science, Multidisciplinary
Lorenz Romaner, Tapaswani Pradhan, Anastasiia Kholtobina, Ralf Drautz, Matous Mrovec
Summary: This study provides a detailed comparative analysis of the M111 dislocation in five bcc transition metals, revealing significant variations in Peierls barriers and stresses among different metals. Tungsten and Molybdenum exhibit sizable barriers, while Niobium, Tantalum, and Iron have comparably small barriers. The predictions are consistent with internal friction measurements and offer new insights into the plasticity of bcc metals.
Article
Materials Science, Multidisciplinary
Anton Bochkarev, Yury Lysogorskiy, Sarath Menon, Minaam Qamar, Matous Mrovec, Ralf Drautz
Summary: The article presents an efficient framework for parametrization of atomic cluster expansion (ACE) models for elements, alloys, and molecules, and discusses some key issues in the parameterization process.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Nanoscience & Nanotechnology
I. Gordeev, L. Kolotova, S. Starikov
Summary: The mechanism of crystallization of Al-Si alloy from an amorphous state is still unclear. This study investigates the properties of aluminum silicide Al2Si structure and reveals the existence of several crystal structures with similar geometry and low formation energies. The chemical ordering in these structures is similar to that in Si-Al melt.
SCRIPTA MATERIALIA
(2022)
Article
Materials Science, Multidisciplinary
Sergei Starikov, Daria Smirnova, Tapaswani Pradhan, Ilia Gordeev, Ralf Drautz, Matous Mrovec
Summary: The recently developed angular-dependent potential for pure iron has been extended to the Fe-Cr-H ternary system, allowing for simulations of Fe-Cr alloys with various hydrogen concentrations. The model's angular-dependent format and machine learning-based development procedure strike a favorable balance between computational cost and parametrization reliability. Validation tests on binary metallic alloys and hydrogen interactions demonstrate the potential's applicability, especially in large-scale simulations of hydrogen diffusion near crystal defects.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
J. Salamania, D. G. Sangiovanni, A. Kraych, K. M. Calamba Kwick, I. C. Schramm, L. J. S. Johnson, R. Boyd, B. Bakhit, T. W. Hsu, M. Mrovec, L. Rogstrom, F. Tasnadi, I. A. Abrikosov, M. Oden
Summary: Through high-resolution scanning transmission electron microscopy, different types of dislocations in titanium nitride films are identified, and their effects on chemical bonding are revealed. The findings have significant implications for the design and interpretation of nanoscale and macroscopic properties of TiN.
MATERIALS & DESIGN
(2022)
Article
Materials Science, Multidisciplinary
S. Starikov, D. Smirnova
Summary: The strong anisotropy of interatomic interaction in pure uranium allows for various structure transformations in this metal. Using classical atomistic simulation, we examine several unusual aspects of these transformations in pure uranium and U-Mo alloys. We specifically focus on the alpha-gamma and gamma 0-gamma transitions, discussing their similarities in detail. Additionally, we discuss the quasi-bcc structure of the gamma phase and the Elinvar effect observed in calculations of elastic moduli in gamma-U-Mo alloys.
JOURNAL OF NUCLEAR MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Yury Lysogorskiy, Anton Bochkarev, Matous Mrovec, Ralf Drautz
Summary: The atomic cluster expansion (ACE) is a new class of data-driven interatomic potentials that have a complete basis set. Automation of the construction of the training dataset and indication of model uncertainty are important for the development of any interatomic potential. This study compares two approaches for uncertainty indication of ACE models and finds that the extrapolation grade based on the D-optimality criterion is more efficient and allows for active exploration of new structures.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Sergei Starikov, Vahid Jamebozorgi, Daria Smirnova, Ralf Drautz, Matous Mrovec
Summary: Screw and edge dislocations in body-centered cubic transition metals exhibit distinct diffusion characteristics, with the migration along screw dislocations being faster due to their different atomic structures.
Article
Materials Science, Multidisciplinary
D. Smirnova, S. Starikov
Summary: We conducted a classical atomistic study on hydrogen diffusion in a-Fe and y-Fe in the presence of grain boundaries, surfaces, or vacancies. Defects of different complexion, which act as pronounced traps for hydrogen, play a significant role in the diffusion mechanisms related to hydrogen embrittlement. By using a recently developed interatomic potential, we estimated the potential impact of these defects on hydrogen diffusion. Our results showed that the interaction between hydrogen and defects strongly depends on the host Fe structure, with grain boundaries and surfaces accelerating diffusion in fcc Fe but not in bcc Fe, and the binding of hydrogen with a mono-vacancy leading to a reduction in vacancy migration rate for both lattice types. We also discussed the equilibrium hydrogen concentrations at grain boundaries and the role of hydrogen located in grain boundaries in the overall hydrogen flux in a polycrystal.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
S. Starikov, A. Abbass, R. Drautz, M. Mrovec
Summary: This study investigates temperature-induced disordering transitions of grain boundaries in body-centered cubic metals using classical atomistic simulations. The study reveals that gradual heating leads to continuous disordering of the grain boundary structure, accompanied by two complexion transitions, analogous to transitions described by the Berezinskii-Kosterlitz-Thouless-Halperin-Nelson-Young theory.
Article
Chemistry, Multidisciplinary
Sergey Syubaev, Ilya Gordeev, Evgeny Modin, Vadim Terentyev, Dmitriy Storozhenko, Sergei Starikov, Aleksandr A. Kuchmizhak
Summary: This article proposes a direct reproducible femtosecond-laser patterning method for manufacturing security labels and optical information encryption. By controlling the printing conditions and the arrangement of nanoparticles, multiple information encryption strategies and high-density information recording can be achieved. The fabrication strategy is simple, inexpensive, and scalable, making it suitable for anti-counterfeit and security applications.
Article
Materials Science, Multidisciplinary
Senja Ramakers, Anika Marusczyk, Maximilian Amsler, Thomas Eckl, Matous Mrovec, Thomas Hammerschmidt, Ralf Drautz
Summary: This paper investigates the thermodynamic stability of different SiC polytypes and identifies that the differences in surface energy are likely the driving force for nucleation, while the differences in bulk thermodynamic stability slightly favor certain polytypes.
Article
Materials Science, Multidisciplinary
Matteo Rinaldi, Matous Mrovec, Manfred Faehnle, Ralf Drautz
Summary: In this study, the spin-wave stiffness dependence on Si concentration in FeSi magnetic phases was investigated using the KKR-CPA method, where the changes were primarily governed by variations in the electronic structure.
Article
Materials Science, Multidisciplinary
Y. Liu, K. Zweiacker, C. Liu, J. T. McKeown, J. M. K. Wiezorek
Summary: The evolution of rapid solidification microstructure and solidification interface velocity of hypereutectic Al-20at.%Cu alloy after laser melting has been studied experimentally. It was found that the formation of microstructure was dominated by eutectic, alpha-cell, and banded morphology grains, and the growth modes changed with increasing interface velocity.
Article
Materials Science, Multidisciplinary
Bharat Gwalani, Julian Escobar, Miao Song, Jonova Thomas, Joshua Silverstein, Andrew Chihpin Chuang, Dileep Singh, Michael P. Brady, Yukinori Yamamoto, Thomas R. Watkins, Arun Devaraj
Summary: Castable alumina forming austenitic alloys exhibit superior creep life and oxidation resistance at high temperatures. This study reveals the mechanism behind the enhanced creep performance of these alloys by suppressing primary carbide formation and offers a promising alloy design strategy for high-temperature applications.
Article
Materials Science, Multidisciplinary
Jian Song, Qi Zhang, Songsong Yao, Kunming Yang, Houyu Ma, Jiamiao Ni, Boan Zhong, Yue Liu, Jian Wang, Tongxiang Fan
Summary: Recent studies have shown that achieving an atomically flat surface for metals can greatly improve their oxidation resistance and enhance their electronic-optical applications. Researchers have explored the use of graphene as a covering layer to achieve atomically flat surfaces. They found that high-temperature deposited graphene on copper surfaces formed mono-atomic steps, while annealed copper and transferred graphene on copper interfaces formed multi-atomic steps.
Article
Materials Science, Multidisciplinary
Jennifer A. Glerum, Jon-Erik Mogonye, David C. Dunand
Summary: Elemental powders of Al, Ti, Sc, and Zr are blended and processed via laser powder-bed fusion to create binary and ternary alloys. The microstructural analysis and mechanical testing show that the addition of Ti results in the formation of primary precipitates, while the addition of Sc and Zr leads to the formation of fine grain bands. The Al-0.25Ti-0.25Zr alloy exhibits comparable strain rates to Al-0.5Zr at low stresses, but significantly higher strain rates at higher stresses during compressive creep testing. Finite element modeling suggests that the connectivity of coarse and fine grain regions is a critical factor affecting the creep resistance of the alloys.
Article
Materials Science, Multidisciplinary
P. Jannotti, B. C. Hornbuckle, J. T. Lloyd, N. Lorenzo, M. Aniska, T. L. Luckenbaugh, A. J. Roberts, A. Giri, K. A. Darling
Summary: This work characterizes the thermo-mechanical behavior of bulk nanocrystalline Cu-Ta alloys under extreme conditions. The experiments reveal that the alloys exhibit unique mechanical properties, behaving differently from conventional nanocrystalline Cu. They do not undergo grain coarsening during extrusion and exhibit behavior similar to coarse-grained Cu.
Article
Materials Science, Multidisciplinary
Yiqing Wei, Jingwei Li, Daliang Zhang, Bin Zhang, Zizhen Zhou, Guang Han, Guoyu Wang, Carmelo Prestipino, Pierric Lemoine, Emmanuel Guilmeau, Xu Lu, Xiaoyuan Zhou
Summary: This study proposes a new strategy to modify microstructure by phase regulation, which can simultaneously enhance carrier mobility and reduce lattice thermal conductivity. The addition of Cu in layered SnSe2 induces a phase transition that leads to increased grain size and reduced stacking fault density, resulting in improved carrier mobility and lower lattice thermal conductivity.
Article
Materials Science, Multidisciplinary
Jia Chen, Zhengyu Zhang, Eitan Hershkovitz, Jonathan Poplawsky, Raja Shekar Bhupal Dandu, Chang-Yu Hung, Wenbo Wang, Yi Yao, Lin Li, Hongliang Xin, Honggyu Kim, Wenjun Cai
Summary: In this study, the structural origin of the pH-dependent repassivation mechanisms in multi-principal element alloys (MPEA) was investigated using surface characterization and computational simulations. It was found that selective oxidation in acidic to neutral solutions leads to enhanced nickel enrichment on the surface, resulting in reduced repassivation capability and corrosion resistance.
Article
Materials Science, Multidisciplinary
X. Y. Xu, C. P. Huang, H. Y. Wang, Y. Z. Li, M. X. Huang
Summary: The limited slip systems of magnesium (Mg) and its alloys hinder their wide applications. By conducting tensile straining experiments, researchers discovered a rate-dependent transition in the dislocation mechanisms of Mg alloys. At high strain rates, glissile dislocations dominate, while easy-glide dislocations dominate at low strain rates. Abundant glissile dislocations do not necessarily improve ductility.
Article
Materials Science, Multidisciplinary
M. S. Szczerba, M. J. Szczerba
Summary: Inverse temperature dependences of the detwinning stress were observed in face-centered cubic deformation twins in Cu-8at.%Al alloy. The detwinning stress increased with temperature when the pi detwinning mode was involved, but decreased when the pi/3 mode was involved. The dual effect of temperature on the detwinning stress was due to the reduction of internal stresses pre-existing within the deformation twins. The complete reduction of internal stresses at about 530 degrees C led to the equivalence of the critical stresses of different detwinning modes and a decrease in the yield stress anisotropy of the twin/matrix structure.
Article
Materials Science, Multidisciplinary
Taowen Dong, Tingting Qin, Wei Zhang, Yaowen Zhang, Zhuoran Feng, Yuxiang Gao, Zhongyu Pan, Zixiang Xia, Yan Wang, Chunming Yang, Peng Wang, Weitao Zheng
Summary: The interaction between the electrode and the electric double layer (EDL) significantly influences the energy storage mechanism. By studying the popular alpha-Fe2O3 electrode and the EDL interaction, we find that the energy storage mechanism of the electrode can be controlled by modulating the EDL.
Article
Materials Science, Multidisciplinary
Matthew R. Barnett, Jun Wang, Sitarama R. Kada, Alban de Vaucorbeil, Andrew Stevenson, Marc Fivel, Peter A. Lynch
Summary: The elastic-plastic transition in magnesium alloy Mg-4.5Zn exhibits bursts of deformation, which are characterized by sudden changes in grain orientation. These bursts occur in a coordinated manner among nearby grains, with the highest burst rate observed at the onset of full plasticity. The most significant burst events are associated with twinning, supported by the observation of twinned structures using electron microscopy. The bursts are often preceded and followed by a stasis in peak movement, indicating a certain "birth size" for twins upon formation and subsequent growth at a later stage.
Article
Materials Science, Multidisciplinary
Vaidehi Menon, Sambit Das, Vikram Gavini, Liang Qi
Summary: Understanding solute segregation thermodynamics is crucial for investigating grain boundary properties. The spectral approach and thermodynamic integration methods can be used to predict solute segregation behavior at grain boundaries and compare with experimental observations, thus aiding in alloy design and performance control.
Article
Materials Science, Multidisciplinary
Feiyu Qin, Lei Hu, Yingcai Zhu, Yuki Sakai, Shogo Kawaguchi, Akihiko Machida, Tetsu Watanuki, Yue-Wen Fang, Jun Sun, Xiangdong Ding, Masaki Azuma
Summary: This study reports on the negative and zero thermal expansion properties of Cd2Re2O7 and Cd1.95Ni0.05Re2O7 materials, along with their ultra-low thermal conductivity. Through investigations of their structures and phonon calculations, the synergistic effect of local structure distortion and soft phonons is revealed as the key to achieving these distinctive properties.
Article
Materials Science, Multidisciplinary
Thomas Beerli, Christian C. Roth, Dirk Mohr
Summary: A novel testing system for miniature specimens is designed to characterize the plastic response of materials for which conventional full-size specimens cannot be extracted. The system has an automated operation process, which reduces the damage to specimens caused by manual handling and improves the stability of the test results. The experiments show that the miniature specimens extracted from stainless steel and aluminum have high reproducibility, and the results are consistent with those of conventional-sized specimens. A correction procedure is provided to consider the influence of surface roughness and heat-affected zone caused by wire EDM.
Article
Materials Science, Multidisciplinary
Rani Mary Joy, Paulius Pobedinskas, Nina Baule, Shengyuan Bai, Daen Jannis, Nicolas Gauquelin, Marie-Amandine Pinault-Thaury, Francois Jomard, Kamatchi Jothiramalingam Sankaran, Rozita Rouzbahani, Fernando Lloret, Derese Desta, Jan D'Haen, Johan Verbeeck, Michael Frank Becker, Ken Haenen
Summary: This study investigates the influence of film microstructure and composition on the Young's modulus and residual stress in nanocrystalline diamond thin films. The results provide insights into the mechanical properties and intrinsic stress sources of these films, and demonstrate the potential for producing high-quality nanocrystalline diamond films under certain conditions.