相关论文: Evaluating Compression and Nanoindentation in FCC …
In this paper, we propose an implicit staggered algorithm for crystal plasticity finite element method (CPFEM) which makes use of dynamic relaxation at the constitutive integration level. An uncoupled version of the constitutive system…
In this work, we investigated tensile and compression forces effect on the thermal conductivity of silicon. We used equilibrium molecular dynamics approach for the evaluation of thermal conductivity considering different interatomic…
Radiation damage in structural materials is a major challenge for advanced nuclear energy systems, and niobium is of particular interest due to its high melting point, mechanical strength, and corrosion resistance. To better understand its…
In this work, the crack nucleation under fretting loading is investigated experimentally with a damage tolerant 2024 aluminium alloy. A new method is introduced to determine its condition with respect to all loading parameters including the…
Aluminum-Copper (Al-Cu) alloys are essential materials for weight reduction critical structures in the aerospace and automotive industries, yet achieving their maximum ultrahigh-strength potential remains limited by nanoscale defect control…
On the basis of the pseudopotential plane-wave(PP-PW) method in combination with the local-density-functional theory(LDFT), complete stress-strain curves for the uniaxial loading and uniaxial deformation along the [001] and [111]…
We present a novel micromechanics-based phase field approach to model crack initiation and propagation in carbon nanotube (CNT) based composites. The constitutive mechanical and fracture properties of the nanocomposites are first estimated…
A modification of an embedded-atom method (EAM)-type potential is proposed for a quantitative description of equilibrium and non-equilibrium properties of metal systems within the molecular-dynamics framework. The modification generalizes…
The stability of a single-walled carbon nanotube placed on top of a catalytic nickel nanoparticle is investigated by means of molecular dynamics simulations. As a case study, we consider the $(12,0)$ nanotube consisting of 720 carbon atoms…
Recently developed single-phase concentrated solid-solution alloys (CSAs) contain multiple elemental species in high concentrations with different elements randomly arranged on a crystalline lattice. These chemically disordered materials…
Among wurtzite-type ferroelectrics, scandium-doped aluminum nitride (ScAlN) has emerged as a leading candidate for CMOS-compatible low-voltage memory, combining strong spontaneous polarization with process compatibility. A remarkable…
We developed new modified embedded-atom method (MEAM) interatomic potentials for the Mg-Al alloy system using a first-principles method based on density functional theory (DFT). The materials parameters, such as the cohesive energy,…
Microstructural evolution of NMC secondary particles during the battery operation drives the electrochemical performance and impacts the Li-ion battery lifetime. In this work, we develop an in situ methodology using the FIB/SEM instrument…
We study the spin dynamics in a 3D quantum antiferromagnet on a face-centered cubic (FCC) lattice. The effects of magnetic field, single-ion anisotropy, and biquadratic interactions are investigated using linear spin wave theory with spins…
The LHeC and the FCC-he will open a new realm in our understanding of nuclear structure and the dynamics in processes involving nuclei, in an unexplored kinematic domain. We review some of the recent studies as shown in the update of the…
A high-throughput correlative study of the local mechanical properties, chemical composition and crystallographic orientation has been carried out in selected areas of cast Inconel 718 specimens subjected to three different tempers. The…
A central focus in high strain rate research is understanding the dynamic behavior of materials at strain rates where a strength upturn is observed. While strength upturns at strain rates of $10^3$ to $10^4~\mathrm{s}^{-1}$ have been widely…
Sintering of alumina nanoparticles is of interest both from the view of fundamental research as well as for industrial applications. Atomistic simulations are tailor-made for understanding and predicting the time- and temperature-dependent…
Magnetic composite materials i.e. elastomers, polymer gels, or polymer solutions with embedded magnetic nanoparticles are useful for many technical and bio-medical applications. However, the microscopic details of the coupling mechanisms…
Carbon nanotube (CNT) reinforced metal matrix composites (MMCs) are gaining the attention of the researchers because of their demand in space and automobile industries for having low weight and high mechanical properties. Iron is the most…