Related papers: Diffusion of muonium and hydrogen in diamond
Diffusion in coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants $D$ from molecular dynamics simulations. We find that $D$ for coulomb crystals with relatively soft-core $1/r$…
We have studied the diamond -> beta-tin phase transition in Si using diffusion quantum Monte Carlo (DMC) methods. Slater-Jastrow-backflow trial wave functions give lower DMC energies than Slater-Jastrow ones, and backflow slightly favors…
We report the prediction of temperature-dependent diffusion coefficients of interstitial hydrogen, deuterium, and tritium atoms in $\alpha$-Ti using transition state theory. The microscopic parameters in the pre-factor and activation energy…
In the present study, the nuclear quantum effects (NQEs) on proton diffusivity in oxides were evaluated by molecular dynamics (MD) simulations with the quantum thermal bath (QTB) based on the Langevin dynamics. We employed the proton…
To describe vibrationally mediated configuration changes of adsorbates on surfaces we have developed a new theory to calculate both reaction rates and pathways. The method uses the T-matrix to describe excitations of vibrational states by…
The nitrogen-vacancy (NV) center in diamond is well known in quantum metrology and quantum information for its favorable spin and optical properties, which span a wide temperature range from near zero to over 600 K. Despite its prominence,…
In this work we first study the quantum diffusion in a volume of a crystalline solid at high interstitial concentrations when the effects of the short-range interactions between the diffusing particles are to be factors. Within the scope of…
In this article we analyse the hydrodynamical behavior of the symmetric exclusion process with long jumps and in the presence of a slow barrier. The jump rates for fast bonds are given by a transition probability $p(\cdot)$ which is…
The temperature-dependent diffusion coefficients of interstitial helium atom in $\alpha$-Ti are predicted using the transition state theory. The microscopic parameters in the pre-factor and activation energy of the impurity diffusion…
We propose a new quantum transition-state theory for calculating Fermi's golden-rule rates in complex multidimensional systems. This method is able to account for the nuclear quantum effects of delocalization, zero-point energy and…
We investigate the transient response of the generated light from Four-Wave Mixing (FWM) in the diamond configuration using a step-down field excitation. The transients show fast decay times and oscillations that depend on the detunings and…
We present a thorough derivation of the excited state energy levels of the negatively charged $^{15}$N-V$^{-}$ center in diamond for the strong applied electric field case. We show that in the $^{15}$N-V$^{-}$ center a spin non-conserving…
The transverse momentum and rapidity distributions of net-baryons (baryons minus anti-baryons) produced in central gold-gold (Au-Au) collisions at 62.4 and 200 GeV are analyzed in the framework of a multisource thermal model. Each source in…
In this article we obtain the equilibrium fluctuations of a symmetric exclusion process in $\mathbb{Z}$ with long jumps. The transition probability of the jump from $x$ to $y$ is proportional to $|x-y|^{-\gamma-1}$. Here we restrict to the…
We perform dynamical calculations of direct muon-transfer rates from thermalized muonic hydrogen isotopes to bare nuclei C$^{6+}$ and O$^{8+}$. For these three-body charge-transfer reactions with Coulomb interaction in the final state we…
Diamonds melt at temperatures above 4000 K. There are no measurements of the steady-state rate of the reverse process: diamond nucleation from the melt, because experiments are difficult at these extreme temperatures and pressures. Using…
We investigate the thermodynamics and kinetics of a hydrogen interstitial in magnetic {\alpha}-iron, taking account of the quantum fluctuations of the proton as well as the anharmonicities of lattice vibrations and hydrogen hopping. We show…
Muon catalyzed fusion in deuterium has traditionally been studied in gaseous and liquid targets. The TRIUMF solid-hydrogen-layer target system has been used to study the fusion reaction rates in the solid phase of D_2 at a target…
Channeling radiation in oriented crystals arises from transitions between quantized transverse bound states in the MeV regime and is strongly affected by thermal diffuse scattering through population transfer and decoherence. A…
Symmetry considerations are used in presenting a model of the electronic structure and the associated dynamics of the nitrogen-vacancy center in diamond. The model accounts for the occurrence of optically induced spin polarization, for the…