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We have used scanning micro x-ray diffraction to characterize different phases in superconducting K$_{x}$Fe$_{2-y}$Se$_2$ as a function of temperature, unveiling the thermal evolution across the superconducting transition temperature…
In this work, the evolution of nanomechanical properties was studied systematically as a function of temperature, chemical, and microstructural complexity of different Fe-based alloys. Experiments were performed at different temperatures…
In steels and single-crystal superalloys the control of the formation of topologically close-packed (TCP) phases is critical for the performance of the material. The structural stability of TCP phases in multi-component transition-metal…
Nanofluidics is an emerging field offering innovative solutions for energy harvesting and desalination. The efficiency of these applications depends strongly on liquid-solid slip, arising from a favorable ratio between viscosity and…
Computational searches for stable and metastable structures of water ice and other H:O compositions at TPa pressures have led us to predict that H$_2$O decomposes into H$_2$O$_2$ and a hydrogen-rich phase at pressures of a little over 5…
Adiabatic decompression of para-quadrupolar materials has significant potential as a cryogenic cooling technology. We focus on TmVO$_4$, an archetypal material that undergoes a continuous phase transition to a ferroquadrupole-ordered state…
Co-base superalloys are considered as promising high temperature materials besides the well-established Ni-base superalloys. However, Ni appears to be an indispensable alloying element also in Co-base superalloys. To address the influence…
Using molecular dynamics simulations we study the thermodynamic behavior of a single-component covalent material described by the recently proposed Environment-Dependent Interatomic Potential (EDIP). The parameterization of EDIP for silicon…
Nanocrystalline metals, i.e. metals in which the grain size is in the nanometer range, have a range of technologically interesting properties including increased hardness and yield strength. We present atomic-scale simulations of the…
Understanding the creep mechanisms and deformation response at different stresses and temperatures is crucial for design using nickel-base superalloys for high-temperature applications. In this study, the creep behaviour of a newly designed…
The mechanical performance of metallic metamaterials with 3-dimensional solid frames is typically a combination of the geometrical effect ("architecture") and the characteristic size effects of the base material ("microstructure"). In this…
The competition between deformation twinning and dislocation slip underpins the evolution of mesoscale plasticity in face-centered cubic materials. While competition between these mechanisms is known to be related to the critical features…
Properties of water have been well elucidated for temperatures above $\sim$230 K and yet mysteries remain in the deeply supercooled region. By performing extensive molecular dynamics simulations on this supercooled region, we find that…
We conduct dislocation dynamics (DD) simulations of Fe periodic single crystals under tensile load at several high strain rates and temperatures. The simulations are enabled by the recent development of temperature-dependent dislocation…
The microstructure and mechanical properties of materials saturate to steady states after severe plastic deformation (SPD). Despite the well-known effect of temperature on the steady-state microstructure, there is no general agreement on…
Nematics with a broken polar symmetry is one of the fascinating recent discoveries in the field of soft matter. High spontaneous polarisation and the fluidity of the ferroelectric nematic $N_{\mathrm{F}}$ phase make such materials…
Creep deformation behaviour in single phase $\gamma$-TiAl alloy has been an extensively studied topic since the late 1970s. A lot of literatures have reported creep behaviour of $\gamma$-TiAl alloys, manufactured using different processing…
While the mechanical behavior of noble nanoporous metals has been the subject of numerous studies, less is known about their recently developed refractory-based counterparts. Here we report on the mechanical properties, deformation…
The present paper studies non-uniform plastic deformations of crystals undergoing anti-plane constrained shear. The asymptotically exact energy density of crystals containing a moderately large density of excess dislocations is found by the…
The study of defect phases is important for designing nanostructured metals and alloys. Grain boundaries (GBs) form one class of defects that directly influence materials properties, such as deformability and strength. At the same time,…