To efficiently capture the energy of the nuclear bond, advanced nuclear reactor concepts
seek solid fuels that must withstand unprecedented temperature and radiation extremes. In …

Since the classical molecular dynamics simulator LAMMPS was released as an open source
code in 2004, it has become a widely-used tool for particle-based modeling of materials at …

Research on actinide materials, both basic and applied, has been greatly advanced by the
general techniques available from high-intensity photon beams from x-ray synchrotron …

We propose a new type of spin-valley locking (SVL), named C-paired SVL, in
antiferromagnetic systems, which directly connects the spin/valley space with the real space …

Strain engineering has been used as an efficient method to modulate various properties of
quantum materials and electronic devices. One may establish piezo effects based on a …

Piezomagnetism couples strain linearly to magnetic order, implying that it can produce and
control magnetization. However, unlike magnetostriction, which couples magnetization …

We present the development of machine-learning interatomic potentials for uranium dioxide
UO 2. Density functional theory calculations with a Hubbard U correction were leveraged to …

We considered an initially stressed micromechanically modeled piezomagnetic fiber-
reinforced composite (PMFRC) half-space, composed of CoFe2O4 fiber–epoxy matrix …

The consequences of 5f electrons in the actinide elements are as interesting as they are
complex, with actinide systems displaying dual nature of 5f states (itinerant-localized) …

A data-driven framework is presented for building magneto-elastic machine-learning
interatomic potentials (ML-IAPs) for large-scale spin-lattice dynamics simulations. The …