Radiation Resistance of Structural Materials of Nuclear Reactors on Irradiation with High-Energy Hydrogen and Helium Ions

Комаров, Ф. Ф.; Komarov, A. F.; Пилько, В. В.

doi:10.1007/s10891-013-0976-y

Cited by 10 publications

(6 citation statements)

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“…[1][2][3][4] Understanding those interactions is highly important for fusion and fission applications, 5 high-energy density physics, 6 medicine, 7 as well as nuclear safety. 8 On average, the stopping power of a material for a given type of projectile is characterized by the projectile's velocity. Conceptually, the stopping phenomenon is divided into two categories depending on the type of excitation produced: (i) At low projectile velocities the dominant effect is the nuclear stopping that mainly has the effect of displacing the host's nuclei which causes lattice excitations; (ii) at high projectile velocities nuclei do not have enough time to react and absorb energy or momentum; instead, electronic excitations are by far more important, thus becoming the main channel for energy dissipation of the projectile.…”

Section: Introductionmentioning

confidence: 99%

Accurate atomistic first-principles calculations of electronic stopping

2015

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We show that atomistic first-principles calculations based on real-time propagation within time-dependent density functional theory are capable of accurately describing electronic stopping of light projectile atoms in metal hosts over a wide range of projectile velocities. In particular, we employ a plane-wave pseudopotential scheme to solve time-dependent Kohn-Sham equations for representative systems of H and He projectiles in crystalline aluminum. This approach to simulate non-adiabatic electron-ion interaction provides an accurate framework that allows for quantitative comparison with experiment without introducing ad-hoc parameters such as effective charges, or assumptions about the dielectric function. Our work clearly shows that this atomistic first-principles description of electronic stopping is able to disentangle contributions due to tightly bound semicore electrons and geometric aspects of the stopping geometry (channeling vs. off-channeling) in a wide range of projectile velocities.

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Section: Introductionmentioning

confidence: 99%

Accurate atomistic first-principles calculations of electronic stopping

2015

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“…The interaction of charged particles with matter has been a subject of extensive research over many decades. These studies provide information for many technological applications such as nuclear safety, applied material science, medical physics and fusion and fission applications [1][2][3][4].…”

Section: Introductionmentioning

confidence: 99%

Electronic band structure effects in the stopping of protons in copper

2016

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We present an ab initio study of the electronic stopping power of protons in copper over a wide range of proton velocities v = 0.02 − 10 a.u. where we take into account non-linear effects. Timedependent density functional theory coupled with molecular dynamics is used to study electronic excitations produced by energetic protons. A plane-wave pseudopotential scheme is employed to solve the time-dependent Kohn-Sham equations for a moving ion in a periodic crystal. The electronic excitations and the band structure determine the stopping power of the material and alter the interatomic forces for both channeling and off-channeling trajectories. Our off-channeling results are in quantitative agreement with experiments, and at low velocity they unveil a crossover region of superlinear velocity dependence (with a power of ∼ 1.5) in the velocity range v = 0.07 − 0.3 a.u., which we associate to the copper crystalline electronic band structure. The results are rationalized by simple band models connecting two separate regimes. We find that the limit of electronic stopping v → 0 is not as simple as phenomenological models suggest and it plagued by band-structure effects.

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“…and the charge density perturbation caused by the excitation of the free electron gas [5,6]. These studies have greatly contributed to many technological applications, such as nuclear safety, applied materials science, high-energy density physics, medical physics, fusion and fission applications, etc [7][8][9][10].…”

Section: Introductionmentioning

confidence: 99%

Asynchronous propagation of atomic force and excited electronic charge in GaAs under proton irradiation

Shi,

Deng,

Feng

2024

J. Phys.: Condens. Matter

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The studies for the interaction of energetic particles with matter have greatly contributed to the exploration of material properties under irradiation conditions, such as nuclear safety, medical physics and aerospace applications. In this work, we theoretically simulate the non-adiabatic process for GaAs upon proton irradiation using time-dependent density functional theory, and find that the radial propagation of force on atoms and the excitation of electron in GaAs are non-synchronous process. We calculated the electronic stopping power on proton with the velocity of 0.1–0.6 a.u., agreement with the previous empirical results. After further analyzing the force on atoms and the population of excited electrons, we find that under proton irradiation, the electrons around the host atoms at different distances from the proton trajectories are excited almost simultaneously, especially those regions with relatively high charge density. However, the distant atoms have a significant hysteresis in force, which occurs after the surrounding electrons are excited. In addition, hysteresis in force and electron excitation behavior at different positions are closely related to the velocity of proton. This non-synchronous propagation reveals the microscopic dynamic mechanism of energy deposition into the target material under ion irradiation.

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Radiation Resistance of Structural Materials of Nuclear Reactors on Irradiation with High-Energy Hydrogen and Helium Ions

Cited by 10 publications

References 0 publications

Accurate atomistic first-principles calculations of electronic stopping

Accurate atomistic first-principles calculations of electronic stopping

Electronic band structure effects in the stopping of protons in copper

Asynchronous propagation of atomic force and excited electronic charge in GaAs under proton irradiation

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