Article
Chemistry, Physical
Peter Schwerdtfeger, Antony Burrows
Summary: This study investigates the stability of the body-centered cubic (bcc) phase compared with the face-centered cubic (fcc) phase at finite pressures. The results show that the stability of the bcc phase decreases with increasing pressure. This research provides important insights into the understanding of crystal phase stability.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Physics, Applied
Liang Wang, Xudong Liu, Chunxi Li, Minzheng Yang, Benpeng Wang, Kaisheng Ming, Shijian Zheng, Jun Liang, Yunfei Xue
Summary: Designing a new type of metastable refractory high entropy alloy with transformation induced plasticity effectively addressed the issue of low ductility. The alloy exhibited remarkable ductility and demonstrated good deformability during tension deformation. Through analyzing the variation of lattice distortion, it was believed that the FCC martensite was generated by relaxing the lattice distortion.
APPLIED PHYSICS LETTERS
(2021)
Article
Materials Science, Multidisciplinary
Dohyung Kim, Irene Ferretto, Jong Bae Jeon, Christian Leinenbach, Wookjin Lee
Summary: The phase transformation behavior from metastable bcc-8 to fcc-y in Fe-Mn-Si based shape memory alloy processed by laser powder bed fusion was investigated. The transformation occurred due to high volumetric energy density and was confirmed to be a combined displacive-diffusional mechanism through analytical studies. Transmission electron microscope studies also confirmed the Kurdjumov-Sachs orientation relationship between bcc-8 and fcc-y phases.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2021)
Article
Multidisciplinary Sciences
P. J. M. Swinkels, S. G. Stuij, Z. Gong, H. Jonas, N. Ruffino, B. van der Linden, P. G. Bolhuis, S. Sacanna, S. Woutersen, P. Schall
Summary: The study of colloidal alkane opens up new avenues for simulating molecular dynamics and investigating molecular transformations and reactions in real time, shedding light on the important interplay of molecular conformations and reactions. Additionally, anisotropically functionalized colloids are shown to serve as meso-atoms for self-assembly of new materials.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Giulia Fiorucci, Marjolein Dijkstra
Summary: The study investigates the out-of-equilibrium phase behavior of charged colloids under external oscillatory shear using non-equilibrium Brownian dynamics simulations. It reveals the formation of a twinned face-centered-cubic phase and a martensitic transition to a body-centered-cubic crystal in a specific range of maximum strain amplitude, along with the presence of a sliding layer phase and a string phase.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Physics, Multidisciplinary
Peng Liu, Luhui Ning, Yiwu Zong, Fangfu Ye, Mingcheng Yang, Ke Chen
Summary: In this study, experiments and computer simulations were performed to investigate the effective interactions between like-charged colloidal tracers moving in a two-dimensional fluctuating background of colloidal crystal. The results show the presence of an effective attraction between the tracers, which weakens as the background lattice constant increases. This lattice-mediated attraction is a result of the minimization of free energy increase from deformation of the crystalline background due to the presence of diffusing tracers.
PHYSICAL REVIEW LETTERS
(2022)
Article
Chemistry, Physical
M. L. Lobanov, M. A. Zorina, P. L. Reznik, V. I. Pastukhov, A. A. Redikultsev, S. V. Danilov
Summary: The crystallographic features of body-centered cubic to face-centered cubic transformation in extruded brass product were studied using X-ray phase analysis, scanning electron microscopy with electron microprobe analysis, and orientation microscopy. The integral textures of phases within the product were axial with axes parallel to the elongation direction in extrusion, while local textures of phases were described as limited and consisting of a set of components. The components of local textures of the beta'- and alpha-phases were associated by orientation relationships close to Kurdjumov-Sachs orientation relationships.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Physics, Applied
Melissa Sims, Richard Briggs, Travis J. Volz, Saransh Singh, Sebastien Hamel, Amy L. Coleman, Federica Coppari, David J. Erskine, Martin G. Gorman, Babak Sadigh, Jon Belof, Jon H. Eggert, Raymond F. Smith, June K. Wicks
Summary: Recent studies have shown that several metals undergo a transformation from face-centered cubic (fcc) to body-centered cubic (bcc) structure during shock compression. Experiments and simulations have revealed that this fcc to bcc transition occurs at high pressures and temperatures, and the bcc structure remains stable at even higher pressures.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Zhenbang Wei, Jinxin Yu, Yong Lu, Jiajia Han, Cuiping Wang, Xingjun Liu
Summary: This study developed a diffusion activate energy model based on machine-learning methods, starting with the establishment of T-m and C-ij models, followed by the development of a Q model and feature selection to optimize the model. The predictive ability and goodness of fit of the models were successfully validated in the study.
MATERIALS & DESIGN
(2021)
Article
Materials Science, Ceramics
G. E. Abrosimova, N. A. Volkov, E. A. Pershina, V. V. Chirkova, I. A. Sholin, A. S. Aronin
Summary: The influence of various alloying elements on the crystallization process and phases of Co-Fe-B amorphous alloys was studied, showing that higher concentrations lead to smaller nanocrystal sizes. The transition of elements from a bcc lattice to an hcp lattice results in multiphase crystallization.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2021)
Article
Chemistry, Multidisciplinary
Sanghyuk Park, Hyerim Hwang, Shin-Hyun Kim
Summary: This study investigates the phase behaviors of aqueous suspensions using depletion interactions. The concentration of depletant and salt in the suspension is adjusted to produce fluid, crystal, and glass phases. The phase boundary between fluid and crystal is determined by the depth of the energy well, while the onset of glass formation is characterized by the assembly rate. Crystals are formed when enthalpy gain outweighs entropy loss, while glasses are kinetically produced due to fast jamming.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Physics, Applied
Tamal Sarkar, Brandon A. Kemp, Cheyenne J. Sheppard
Summary: Charged nanoparticles exhibit anomalous electrostatic interactions, which can lead to stable, non-touching equilibria in inverted dielectric systems. In this study, we analytically demonstrate minimum-potential energy configurations for binary systems of charged nanoparticles and control of constituent spacing by externally applied electrostatic fields. The field-matter interactions are governed by the electrostatic forces of high order multipoles induced by the charged nanoparticles submerged in dielectric liquids. The particles bind in non-touching configurations due to electrostatic potential wells for each particle induced by other dissimilar particles in their vicinity. Such binary systems are proposed as building blocks with the potential of electromagnetic tunability of novel photonic surfaces.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Javier Varillas, Jan Ocenasek, Jordi Torner, Jorge Alcala
Summary: Nanoindentation experiments in various metals show the onset of plastic instabilities, formation of permanent nanoimprints and defect networks. Molecular dynamics simulations reveal the processes governing contact resistance, abrupt plastic instabilities, and the evolution towards a steady-state with plateauing hardness. The ratio of hardness to Young's modulus varies between different metals, with BCC Ta and Fe showing higher values. Factors such as stacking faults, nanotwin interlocking, and defect remobilization events contribute to the formation of permanent nanoimprints. Additionally, the correlation between nanoimprint formation and material response to indentation influences the hardness to yield strength ratio, exceeding the continuum plasticity bound.
Article
Physics, Applied
Kevin Elphick, Kenta Yoshida, Tufan Roy, Tomohiro Ichinose, Kazuma Kunimatsu, Tomoki Tsuchiya, Kazuya Z. Suzuki, Masahito Tsujikawa, Yasuyoshi Nagai, Shigemi Mizukami, Masafumi Shirai, Atsufumi Hirohata
Summary: This study focuses on developing an almost strain-free MTJ using metastable bcc Co-Mn ferromagnetic films, which show large TMR ratios. The high resolution transmission electron microscopy reveals consistent lattice constants in the Co-Mn/MgO/Co-Mn layers and presence of dislocations at the interfaces. Ab initio calculations confirm the advantage of a strain-free interface for achieving much larger TMR ratios in a broad compositional range of Co-Mn.
PHYSICAL REVIEW APPLIED
(2021)
Article
Chemistry, Multidisciplinary
Sylvia L. Hanna, Tekalign T. Debela, Austin M. Mroz, Zoha H. Syed, Kent O. Kirlikovali, Christopher H. Hendon, Omar K. Farha
Summary: The structure of supramolecular isomers determines their performance and rational synthesis relies on understanding the energetic relationships between them. A study on uranium-based metal-organic framework topological isomers revealed the existence of metastable isomers and the influence of non-equilibrium synthetic conditions. Furthermore, the study demonstrated that defined MOF design rules can lead to the synthesis of more complex products.
