Article
Physics, Applied
Constantinos Hatzoglou, Benjamin Klaes, Fabien Delaroche, Gerald Da Costa, Brian Geiser, Markus Kuehbach, Peter B. Wells, Francois Vurpillot
Summary: Reconstructions in atom probe tomography are biased by image distortions arising from dynamic changes of the specimen geometry. Current models for understanding and reproducing image artifacts are too slow or not adapted to be routinely used in image correction approaches. To address this, we propose an alternative simulation tool based on a coarse-grained model of the sample surface that accurately reproduces the effects of temperature and electric field on ion projection.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2023)
Article
Physics, Multidisciplinary
M. Karam, J. Houard, G. Damarla, L. Rousseau, O. Bhorade, A. Vella
Summary: In this study, we experimentally and numerically investigate ion field evaporation from LaB6 nanotips using single-cycle terahertz (THz) transients and a static bias voltage. By varying the amplitude and phase of the THz pulses and the value of the bias, we examine the reshaping of ion energy and their time-of-flight spectra induced by THz radiation. Our results demonstrate that a short THz transient of about 1 ps can cause ionization and emission of ions from LaB6 samples through a field effect. Furthermore, by comparing numerical and experimental results, we show that the response time of surface atoms to the THz transient is shorter than 1 ps, corresponding to the vibration times of acoustic phonons in LaB6.
NEW JOURNAL OF PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Constantinos Hatzoglou, Gerald Da Costa, Peter Wells, Xiaochen Ren, Brian P. Geiser, David J. Larson, Remi Demoulin, Kasper Hunnestad, Etienne Talbot, Baishakhi Mazumder, Dennis Meier, Francois Vurpillot
Summary: This paper proposes a simple semianalytical approach to reconstruct multilayered structures in atom probe tomography (APT), and demonstrates experimentally and theoretically that the depth accuracy of reconstructed APT images is improved using this method.
MICROSCOPY AND MICROANALYSIS
(2023)
Article
Chemistry, Physical
In-Su Hwang, Young-Han Lee, Vinoth Ganesan, Yoon Hwa, Cheol-Min Park
Summary: This study introduces a new type of GaSb compound anode and optimized nanocomposite fabrication route for improving the performance of lithium-ion batteries. The reaction mechanism of GaSb with Li ions is analyzed using advanced analysis tools, and the electrochemical performance of different nanocomposites is compared. The results show that the GaSb/a-C nanocomposite exhibits superior performance, surpassing conventional graphite anodes.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Nanoscience & Nanotechnology
Christopher Mead, Chunyi Huang, Nebile Isik Goktas, Elisabetta Maria Fiordaliso, Ray R. LaPierre, Lincoln J. Lauhon
Summary: Controlling the distribution of dopants in nanowires is crucial for regulating their electronic properties. In this study, the spatial distribution of Be dopants in a GaAs nanowire with a twinning superlattice (TSL) was investigated. The results showed homogeneous dopant distributions in both the radial and axial directions, indicating a decoupling of the dopant distribution from the nanowire microstructure. Additionally, the analysis revealed that a small percentage of Be atoms occurred in substitutional-interstitial pairs, confirming theoretical predictions based on low defect formation energy.
Article
Materials Science, Multidisciplinary
Hosun Jun, Kyuseon Jang, Chanwon Jung, Pyuck-Pa Choi
Summary: Atomic mapping of nanomaterials, especially nanoparticles, using atom probe tomography (APT) is challenging due to shape distortions and biased compositions observed in Ag nanoparticles. By developing a method based on pulse electrodeposition to embed Ag nanoparticles in a Ni matrix, the dispersion and number density of the nanoparticles within the matrix can be significantly enhanced. The detrimental effects observed during APT analyses can be mitigated through careful selection of the matrix material to match the evaporation field of the nanoparticles.
MICROSCOPY AND MICROANALYSIS
(2021)
Article
Materials Science, Multidisciplinary
Toshiharu Ohnuma
Summary: First-principles calculations were conducted to investigate the evaporation field of Fe, Cu, Mn, and Si in Fe (001) and the roll-up effect of Fe, Cu, and Mn in the Fe (001) step structure. The results showed that Mn and Cu are easier to evaporate compared to Fe, while the evaporation of Si is less probable. The roll-up effect on the step structure is more significant when the electric field is low, and less pronounced when the electric field is large.
MICROSCOPY AND MICROANALYSIS
(2022)
Article
Chemistry, Physical
Yu Xia, Jiaming Liu, Xingchu Zhang, Renlong Zhou
Summary: Research findings show that laser energy absorption and field evaporation mechanisms can be described by an effective cross section, while the fluctuation of charge state is influenced by collective excitation of electrons. The average charge state is only dependent on the static field strength.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Materials Science, Multidisciplinary
Leonie Gomell, Tobias Haeger, Moritz Roscher, Hanna Bishara, Ralf Heiderhoff, Thomas Riedl, Christina Scheu, Baptiste Gault
Summary: The microstructure of a material plays an important role in its thermoelectric performance. In this study, the researchers investigated the microstructure and local properties of the Heusler-Fe2VAl compound using advanced microscopy techniques. They found that laser surface remelting can be used to manipulate the microstructure, leading to improved thermoelectric performance at room temperature.
Article
Materials Science, Multidisciplinary
Olivia G. Licata, Baishakhi Mazumder
Summary: This work investigates the correlation between the separation distance of ion pairs evaporated from III-nitride semiconductors and bulk composition, growth method, and ion-pair chemistry. The analysis of ion-pair separation in the AlGaN/GaN heterostructure system reveals a distinct bimodal behavior unique to Al-N-2(+) ion pairs, indicating both co-evaporation and molecular dissociation. Furthermore, it is found that the two modes of ion-pair events align with the known variation in the surface electric field of the AlGaN(0001) structure.
MICROSCOPY AND MICROANALYSIS
(2022)
Article
Chemistry, Physical
Daniel S. Mosiman, Yi-Sheng Chen, Limei Yang, Brian Hawkett, Simon P. Ringer, Benito J. Marinas, Julie M. Cairney
Summary: Two techniques were developed to encapsulate and prepare HAP NPs into APT tips for characterization, revealing significant tradeoffs between encapsulant methods/materials for HAP characterization and the need for further technique development to select a more robust approach. This work serves as an essential starting point for advancing knowledge about the nanoscale spatiochemistry of HAP NPs.
Article
Physics, Applied
Charles Fletcher, Michael P. Moody, Claudia Fleischmann, Masoud Dialameh, Clement Porret, Brian Geiser, Daniel Haley
Summary: The authors proposed a new reconstruction protocol in atom probe tomography to correct image distortions for multiphase materials. By applying this new algorithm to experimental semiconductor multilayer systems and fin field-effect transistor devices, a significant reduction in multiphase image distortions was demonstrated. The method could also be used for testing and validating new developments in field evaporation theory by quantitatively comparing model predictions with experimental results.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Chanwon Jung, Hosun Jun, Kyuseon Jang, Se-Ho Kim, Pyuck-Pa Choi
Summary: This study utilizes atom probe tomography to investigate the structure-property relationships of carbon-supported nanoparticles. It synthesizes and analyzes carbon-supported Pt, PtMn alloy, and ordered Pt3Mn nanoparticles as model systems. The research provides insights into the 3D elemental distribution and the field evaporation behavior of the carbon support, and offers guidance for future studies and applications.
MICROSCOPY AND MICROANALYSIS
(2022)
Article
Nanoscience & Nanotechnology
Jiayuwen Qi, Christian Oberdorfer, Emmanuelle A. Marquis, Wolfgang Windl
Summary: In atom probe tomography (APT), atoms are evaporated from a needle-shaped specimen in high field, and their positions and mass are analyzed to reconstruct a 3D image. However, artifacts in the evaporation map can lead to inaccurate reconstructions. Through a new simulation technique, we show that the misalignment of electrostatic and interatomic forces can result in an accumulation of hit events around certain zones, explaining the origin of the artifacts.
SCRIPTA MATERIALIA
(2023)
Article
Chemistry, Multidisciplinary
Oussama Moutanabbir, Simone Assali, Anis Attiaoui, Gerard Daligou, Patrick Daoust, Patrick Del Vecchio, Sebastian Koelling, Lu Luo, Nicolas Rotaru
Summary: This work demonstrates the epitaxial growth of Ge-70/silicon-germanium (SiGe) quantum wells with depleted Ge-73 and Si-29 isotopes, achieving nuclear spin-free Ge qubits. The study shows that the isotopic purity of the quantum wells is highly sensitive to the growth conditions.
ADVANCED MATERIALS
(2023)
Article
Geology
Rick Verberne, Hugo W. van Schrojenstein Lantman, Steven M. Reddy, Matteo Alvaro, David Wallis, Denis Fougerouse, Antonio Langone, David W. Saxey, William D. A. Rickard
Summary: The migration of trace elements in rutile is investigated through the study of low-angle boundaries formed by dislocation creep in an omphacite vein. It is found that dislocation cores along these low-angle boundaries are enriched with various trace elements, including Fe and Ca. The role of dislocation microstructures as fast-diffusion pathways should be considered to avoid erroneous interpretations for Ca and Fe.
JOURNAL OF METAMORPHIC GEOLOGY
(2023)
Article
Multidisciplinary Sciences
Fred Jourdan, Nicholas E. Timms, Tomoki Nakamura, William D. A. Rickard, Celia Mayers, Steven M. Reddy, David Saxey, Luke Daly, Phil A. Bland, Ela Eroglu, Denis Fougerouse
Summary: Rubble pile asteroids, made up of reassembled fragments, are more abundant than previously believed and can withstand bombardment in the solar system for extremely long periods. By analyzing samples from asteroid 25143 Itokawa, researchers found that the rubble pile structure formed at least 4.2 billion years ago and could provide valuable insights for developing strategies to prevent asteroid collisions with Earth.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Article
Materials Science, Multidisciplinary
Ruben Bueno Villoro, Maxwell Wood, Ting Luo, Hanna Bishara, Lamya Abdellaoui, Duncan Zavanelli, Baptiste Gault, Gerald Jeffrey Snyder, Christina Scheu, Siyuan Zhang
Summary: Complex microstructures in thermoelectric materials can be utilized to optimize their transport properties. In TiCoSb half Heusler compounds, Fe-dopants segregate to grain boundaries, increasing the electrical conductivity and reducing the thermal conductivity. The electrical conductivity of the grain interior and boundaries is calculated, and the atomic structure of grain boundaries is studied. Segregation engineering in fine-grained thermoelectrics is proposed as a new design tool to optimize transport properties while achieving a lower thermal conductivity.
Article
Geochemistry & Geophysics
M. J. Turuani, A. -M. Seydoux-Guillaume, A. T. Laurent, S. M. Reddy, S. L. Harley, D. Fougerouse, D. Saxey, S. Gouy, P. De Parseval, S. Reynaud, W. Rickard
Summary: Understanding the mass transfer mechanisms of radionuclides in monazite is crucial for its use as a geochronometer. This study investigates the mechanisms of Th and Pb mobility in monazite crystals through multiscale characterization. The results show the presence of linear Th-rich features and nanoscale clusters composed of radiogenic Pb within monazite lattice defects. The formation of these features is attributed to fluid ingress and radiation damage production. Nanophases containing Pb are also observed in all grains, suggesting a replacement mechanism of monazite through fluid interactions. This multiscale study provides new insights for interpreting geochronological information.
CONTRIBUTIONS TO MINERALOGY AND PETROLOGY
(2023)
Article
Nanoscience & Nanotechnology
Se-Ho Kim, Kihyun Shin, Xuyang Zhou, Chanwon Jung, Hyun You Kim, Stella Pedrazzini, Michele Conroy, Graeme Henkelman, Baptiste Gault
Summary: Atom probe tomography is a useful technique for obtaining sub-nanoscale information from technologically-relevant materials. However, the analysis of functional ceramics, especially perovskites, remains challenging due to low yield and success rate. This study shows that a metallic coating can prevent charge penetration and suppress the volume change associated with the piezoelectric effect, allowing for successful analysis of BaTiO3 particles in a metallic matrix.
SCRIPTA MATERIALIA
(2023)
Article
Nanoscience & Nanotechnology
Hanna Bishara, Lena Langenohl, Xuyang Zhou, Baptiste Gault, James P. Best, Gerhard Dehm
Summary: The study focuses on the effect of Fe-alloying on the resistivities of grains and grain boundaries in Cu thin films. Cu films with varying grain sizes and Fe compositions were prepared. The properties, morphology, and compositions of bulk and grain boundaries were analyzed using different methods. Both local electrical measurements and global resistivity characterization were performed to obtain specific resistivities and calculate the grain boundary reflection coefficient. It was found that alloying significantly increased the resistivity of grain boundaries while causing only minor influence on the grain interior.
SCRIPTA MATERIALIA
(2023)
Article
Multidisciplinary Sciences
Xuyang Zhou, Ali Ahmadian, Baptiste Gault, Colin Ophus, Christian H. Liebscher, Gerhard Dehm, Dierk Raabe
Summary: Grain boundaries, the defects between differently oriented crystals, play an important role in solute segregation and material properties. The interplay of structure and composition of grain boundaries at the atomic level remains unclear. Through charge-density imaging and atom probe tomography, the authors reveal that the atomic motifs control the chemical properties of grain boundaries and enable the targeted design and passivation for various applications.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Maxence Buttard, Marti Lopez Freixes, Charles Josserond, Patricia Donnadieu, Bechir Chehab, Jean-Jacques Blandin, Baptiste Gault, Fredric De Geuser, Guilhem Martin
Summary: This study establishes the relationship between microstructure and mechanical properties of a novel Al-4Mn-3Ni-2Cu-1Zr alloy designed for laser powder bed fusion (L-PBF). The study discusses the role of multiple strengthening mechanisms in achieving high strength in the material. The findings provide guidelines for optimizing the mechanical properties and thermal stability of Al-alloys designed for L-PBF.
Article
Chemistry, Multidisciplinary
Mathias Kraemer, Bar Favelukis, Ayman A. El-Zoka, Maxim Sokol, Brian A. Rosen, Noam Eliaz, Se-Ho Kim, Baptiste Gault
Summary: A study reveals the presence of alkali and halogen elements, as well as unetched aluminum in MXenes materials, which are often overlooked when considering the activity and performance.
ADVANCED MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Heena Khanchandani, Baptiste Gault
Summary: High strength twinning induced plasticity (TWIP) steels have potential for applications in the automotive industry, but they are susceptible to hydrogen embrittlement (HE) and galvanic corrosion. This study investigates the susceptibility towards HE and oxidation of a model Fe 27Mn 0.3C (wt%) TWIP steel using atom probe tomography. The segregation of hydrogen and oxygen at grain boundaries, correlated with manganese depletion, is measured. The study suggests a correlation between HE and oxidation mechanisms in TWIP steels, which can contribute to hydrogen enhanced decohesion of grain boundaries.
SCRIPTA MATERIALIA
(2023)
Article
Nanoscience & Nanotechnology
Tim M. Schwarz, Hongyi Zhan, Baptist Gault, Christopher M. Gourlay, Ingrid McCarroll
Summary: The peak-aged magnesium-aluminum-rare earth (Mg-Al-RE) alloy AE44-2, produced through high-pressure die casting, exhibits a 10% increase in yield strength due to the formation of nanoscale AlMn precipitates. Atom probe tomography reveals the presence of Ce-rich clusters in the dendritic region rather than the inter-dendritic alpha-Mg in the as cast state, indicating their formation is mainly determined by solidification kinetics rather than concentration. These Ce-rich clusters act as heterogeneous nucleation sites for the formation of Al10Mn7RE2 nanoscale precipitates during the T5 heat treatment, suggesting a potential pathway for tailoring mechanical properties.
SCRIPTA MATERIALIA
(2023)
Article
Nanoscience & Nanotechnology
Ziyuan Rao, Yue Li, Hongbin Zhang, Timoteo Colnaghi, Andreas Marek, Markus Rampp, Baptiste Gault
Summary: Computational methods and machine learning algorithms are crucial for automatic information extraction in materials science. A machine learning-based approach working directly on original periodic atom arrangements shows high accuracy and tolerance to random displacements and missing atoms. This approach successfully reconstructs ordered L12 precipitates and advances crystal structure identification for incomplete data.
SCRIPTA MATERIALIA
(2023)
Article
Nanoscience & Nanotechnology
Marti Lopez Freixes, Xuyang Zhou, Raquel Aymerich-Armengol, Miquel Vega-Paredes, Lionel Peguet, Timothy Warner, Baptiste Gault
Summary: Crack growth in stress corrosion cracking (SCC) in 7xxx Al alloys is an intermittent process. When crack propagation stops, hydrogen (H) is generated at the crack tip, facilitating further crack advancement through hydrogen embrittlement. CAMs are produced through oxidation at the arrested crack tip, with matrix precipitates dissolving and solute diffusing towards the growing CAM. Residual strain beneath the fracture surface indicates non-localized plastic activity. Findings suggest that H induces crack propagation through decohesion.
SCRIPTA MATERIALIA
(2023)
Article
Materials Science, Multidisciplinary
Shyam Katnagallu, Christoph Freysoldt, Baptiste Gault
Summary: Three-dimensional field ion microscopy (3D-FIM) is a technique capable of resolving crystalline defects at an atomic scale. The formation of vacancies on electrified metal surfaces under high electrostatic fields is found to be more difficult compared to field-free conditions. The electrostatic field can also introduce kinetic barriers to vacancy annihilation mechanisms.
Article
Green & Sustainable Science & Technology
Mahander P. P. Singh, Se-Ho Kim, Xuyang Zhou, Hiram Kwak, Alisson Kwiatkowski da Silva, Stoichko Antonov, Leonardo Shoji Aota, Chanwon Jung, Yoon Seok Jung, Baptiste Gault
Summary: This study uses cryogenic atom probe tomography to investigate the surface chemistry changes of cathode materials for Li-ion batteries. The formation of Li2CO3 species on the surface of a LiNi0.8Mn0.1Co0.1O2 (NMC811) cathode material when exposed to air is observed. These findings are crucial for improving cathode synthesis and cell assembly protocols, as well as understanding cathode degradation processes.
ADVANCED ENERGY AND SUSTAINABILITY RESEARCH
(2023)
Article
Microscopy
C. Gao, C. Hofer, T. J. Pennycook
Summary: Ptychography provides high dose efficiency images that can reveal light elements next to heavy atoms. However, contrast reversals can occur when the projected potential becomes strong. Recent research has shown that these reversals can be counteracted by adapting the focus. This study explains why the best contrast is often found with the probe focused to the middle of the sample and highlights the importance of convergence angle in thin samples to remove contrast reversals.
Article
Microscopy
J. Lindner, U. Ross, T. Meyer, V. Boureau, M. Seibt, Ch. Jooss
Summary: Phase-shifting electron holography is an excellent method with high phase sensitivity to reveal electron wave phase information. An advanced drift correction scheme is proposed in this study, which exploits the interface of the TEM specimen and the vacuum area in the hologram. This method allows for obtaining reliable phase information.
Article
Microscopy
Ali Jaberi, Nicolas Brodusch, Jun Song, Raynald Gauvin
Summary: This study investigates knock-on damage in lithium-ion batteries (LIBs) by computing threshold displacement energies (TDEs) and performing Monte Carlo simulation. The results indicate that Li is most sensitive to knock-on damage at moderate electron energies, and TDE is the principal parameter for assessing Li sensitivity to knock-on damage across similar structures.
Article
Microscopy
Alexander Schroeder, Christopher Rathje, Leon van Velzen, Maurits Kelder, Sascha Schaefer
Summary: This study utilizes novel event-based electron detector platforms to extend the temporal resolution of electron microscopy. By training a neural network to predict electron arrival time, the researchers were able to improve the timing accuracy and achieve a promising solution for enhancing electron timing precision in various electron microscopy applications.
Article
Microscopy
Avi Auslender, Nivedita Pandey, Amit Kohn, Oswaldo Dieguez
Summary: This article describes a faster implementation based on DFT for computing the mean inner potential of crystals, providing quantum-mechanical calculations beyond the independent-atom approximation. The study also reveals the dependence of the mean inner potential on sample boundary conditions, mass density, and magnetic susceptibility, highlighting its correlation with various material properties.
Article
Microscopy
Zhidong Yang, Dawei Zang, Hongjia Li, Zhao Zhang, Fa Zhang, Renmin Han
Summary: In this work, we propose a self-supervised deep learning model for cryo-ET volumetric image denoising based on noise modeling and sparsity guidance. Experimental results demonstrate that our method can achieve reliable denoising by training on single noisy volume and outperform existing methods.
Article
Microscopy
J. Kuttruff, J. Holder, Y. Meng, P. Baum
Summary: In this study, a robust clustering algorithm is proposed that can find clusters in a continuous stream of raw data in real time. This algorithm converts pixel hits measured by hybrid pixel detectors to real single-electron events. By continuously comparing with previous hits, the algorithm efficiently identifies the merging of new and old events.
Article
Microscopy
D. G. Senturk, C. P. Yu, A. De Backer, S. Van Aert
Summary: This article presents a statistics-based method for accurately counting the number of atoms in nanostructures, especially for images acquired with low electron doses and multiple element structures.
Article
Microscopy
Mauricio J. Prieto, Lucas de Souza Caldas, Liviu C. Tanase, Thomas Schmidt, Oscar Rodriguez de la Fuente
Summary: This study presents a synchrotron-based investigation of the synthesis process of a magnetite/hematite bilayer. Ion bombardment gradually transforms hematite into magnetite, and the growth of magnetite leads to the formation of stable boundaries. These findings are significant for understanding novel oxide heterostructures.
Article
Microscopy
Emre Yoruk, Holger Klein, Stephanie Kodjikian
Summary: Beam sensitive nanomaterials pose challenges for crystallographic structure determination. A dose symmetric electron diffraction tomography (DS-EDT) method is developed to reduce beam damage and obtain complete data sets by merging individual datasets from multiple crystals.
Article
Microscopy
A. Pofelski, Y. Zhu, G. A. Botton
Summary: The precision and sensitivity of the GPA method for strain characterization is a widely discussed topic. This study introduces the concept of phase noise and analyzes the parameter of sampling to improve the precision of GPA. Experimental and theoretical results demonstrate that using a larger pixel spacing in STEM can enhance the precision and sensitivity of the GPA method.
Article
Microscopy
Sangjun Kang, Di Wang, Christian Kuebel, Xiaoke Mu
Summary: Transmission electron microscopy is a valuable tool for assessing strain fields within materials. However, using thin specimens in TEM analysis can affect atomic configuration and deformation structure.
