相关论文: Radiation resistance in simulated metallic core-sh…

In this paper, we investigate plasticity in irradiated FeCrAl nanopillars using discrete dislocation dynamics simulations (DDD), with comparisons to transmission electron microscopic (TEM) in situ tensile tests of ion and neutron irradiated…

Short-range correlation pairs (SRCs) -- core of nuclear structure, composed of highly off-shell nucleons -- are mostly studied via electron-nucleon scattering, leaving a gap in meson-based probes. We propose probing SRC off-shell nucleons…

Molecular dynamics (MD) simulations of successive collision cascades within the same simulation domain were performed using two different inter-atomic potentials (IAP) in tungsten, one EAM based and the other a `quantum accurate' machine…

Recent studies have highlighted the sensitivity of core-collapse supernovae (CCSNe) models to electron-capture (EC) rates on neutron-rich nuclei near the N=50 closed-shell region. In this work, we perform a large suite of one-dimensional…

The formation energy of the interface between face-centered cubic (fcc) and hexagonal close packed (hcp) structures is a key parameter in determining the stacking fault energy (SFE) of fcc metals and alloys using thermodynamic calculations.…

We perform nanoindentation simulations for both the prototypical face-centered cubic metal copper and the body-centered cubic metal tungsten with a new adaptive-precision description of interaction potentials including different accuracy…

In this work, Pt-Ti core-shell nanoparticles (NP) of 2 nm to 3 nm in size and 30000 u \pm 1500 u as specified single particle mass, deposited on flat silicon substrates by means of a mass-selected cluster beam source, were used for the…

Nanoparticle sintering remains a critical challenge in heterogeneous catalysis. In this work, we present a unified deep potential (DP) model for Cu nanoparticles on three Al$_2$O$_3$ surfaces ($\gamma$-Al$_2$O$_3$(100),…

In this report, the preparation of Fe-carbon nitride (CN)-based electrocatalysts (ECs) with a 'core-shell' morphology for the oxygen reduction reaction (ORR) is described. The ECs consist of spherical XC-72R carbon nanoparticles, the…

We develop a machine-learned interatomic potential for AlCrCuFeNi high-entropy alloys (HEA) using a diverse set of structures from density functional theory calculated including magnetic effects. The potential is based on the…

To evaluate the radiation tolerance of nanocrystalline (NC) materials, the damage effects of Fe and W as typical body-centered cubic (BCC) metals under uniform irradiation are studied by a sequential multi-scale modelling framework. An…

Concentrated solid--solution alloys (CSAs) in single--phase form have recently garnered considerable attention owing to their potential for exceptional irradiation resistance. This computational study delves into the intricate interplay of…

Understanding the mechanisms of plasticity in structural steels is essential for the operation of next-generation fusion reactors. Elemental composition, particularly the amount of Cr present, and irradiation can have separate and…

A large fraction of core-collapse supernovae (CCSNe), 30-50%, are expected to originate from the low-mass end of progenitors with $M_{\rm ZAMS}~= 8-12~M_\odot$. However, degeneracy effects make stellar evolution modelling of such stars…

In this work, Na isotopes with mass varying from $A=$ 20 to 31 have been studied using DJ16A, JISP16 and N3LO microscopic effective interactions in the $sd$-shell. These effective interactions are derived for $sd$-shell using no-core shell…

Nanoindentation is a powerful tool capable of providing fundamental insights of material elastic and plastic response at the nanoscale. Alloys at nanoscale are particularly interesting as the local heterogeneity and deformation mechanism…

Emerging studies are geared toward exploring new methods of nuclear rocket propulsion to provide more efficient space transit beyond Earth's orbit. One method is to employ a Fission Fragment Rocket Engine utilizing fissionable layers…

Nuclear weak rates in stellar environments are obtained by shell-model calculations including Gamow-Teller (GT) and spin-dipole transitions, and applied to nuclear weak processes in stars. The important roles of accurate weak rates for the…

We performed molecular dynamics simulations to investigate the mechanical response of face-centered cubic (FCC) nickel under uniaxial compression and nanoindentation using traditional interatomic potentials, including the Embedded Atom…

Realistic nuclear structure calculations are presented for the event rates due to coherent elastic neutrino-nucleus scattering (CE$\nu$NS), assuming neutrinos from pion-decay at-rest, from nuclear reactors and from Earth's interior. We…