Predicting damage production in monoatomic and multi-elemental targets using stopping and range of ions in matter code: Challenges and recommendations

Weber, William J.; Zhang, Yongfeng

doi:10.1016/j.cossms.2019.06.001

Cited by 184 publications

(59 citation statements)

References 69 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…Displaced atom profiles and energy deposition profiles were calculated using SRIM 2013 software in a full-cascade mode to estimate the damage dose in displacements per atom ( Figure S4, Supporting information), assuming a film density of 8.356 g•cm −3 with a threshold displacement energy of 40 eV for all the constituent elements. [46] The theoretical density of the solid-solution alloy was roughly estimated from the atomic fraction, atomic weight, and density of each constituent element. Regions at a depth of around 500 nm were chosen for microstructural characterization, and the average damage dose at this depth was 0.7, 4.5, 24, 125, and 370 dpa, respectively, for the ion fluences in this study.…”

Section: Methodsmentioning

confidence: 99%

Irradiation‐Induced Extremes Create Hierarchical Face‐/Body‐Centered‐Cubic Phases in Nanostructured High Entropy Alloys

Jiang

Sun

et al. 2020

Advanced Materials

Self Cite

View full text Add to dashboard Cite

A nanoscale hierarchical dual-phase structure is reported to form in a nanocrystalline NiFeCoCrCu high-entropy-alloy (HEA) film via ion irradiation. Under the extreme energy deposition and consequent thermal energy dissipation induced by energetic particles, a fundamentally new phenomenon is revealed, in which the original single-phase face-centered-cubic (FCC) structure partially transforms into alternating nanometer layers of a body-centered-cubic (BCC) structure. The orientation relationship follows the Nishiyama-Wasserman relationship, that is, (011) BCC || (111) FCC and [100] BCC || [ 110] FCC. Simulation results indicate that Cr, as a BCC stabilizing element, exhibits a tendency to segregate to the stacking faults (SFs). Furthermore, the high densities of SFs and twin boundaries in each nanocrystalline grain serve to accelerate the nucleation and growth of the BCC phase during irradiation. By adjusting the irradiation parameters, desired thicknesses of the FCC and BCC phases in the laminates can be achieved. This work demonstrates the controlled formation of an attractive dual-phase nanolaminate structure under ion irradiation and provides a strategy for designing new derivate structures of HEAs.

show abstract

Section: Methodsmentioning

confidence: 99%

Irradiation‐Induced Extremes Create Hierarchical Face‐/Body‐Centered‐Cubic Phases in Nanostructured High Entropy Alloys

Jiang

Sun

et al. 2020

Advanced Materials

Self Cite

View full text Add to dashboard Cite

show abstract

“…The energy of self-ion irradiation was chosen so as to match the thickness of SiC epilayers. Following recent recommendations, 33 full cascade simulations are performed for the SiC/Si sample and yield R p =1.32 ± 0.16 μm ( Figure 1) using densities of 3.21 g cm −3 for SiC and 2.33 g cm −3 for Si. The Si ions are transmitted through the SiC film and stopped in the Si substrate with a damage peak at ~200 nm below the SiC/Si interface ( Figure 1, inset).…”

Section: Methodsmentioning

confidence: 99%

“…However, it is to be noted that S e values may also be overestimated for slow light ion irradiation of targets containing light elements, such as SiC and Si. 33 For the incident 82-keV u −1 28 Si ion energy, the CASP 5.0 code 65 actually yields a total stopping power of ~4.3 × 10 −13 eV cm 2 per SiC molecule using ionization of the 1 s, 2 s, 2p, 3 s, and 3p shells, which gives S e ~2.1 MeV µm −1 (for a molar mass of 40 g and mass density of 3.21 g cm −3 ) instead of 2.9 MeV µm −1 as computed by SRIM2013. The DPASS 2.11 code 66 gives ~3.9 × 10 −13 eV cm 2 for Si and ~2.5 × 10 −13 eV cm 2 for C, that is, S e ~6.4 × 10 −13 eV cm 2 ~3.2 MeV µm −1 using the Bragg's additivity rule.…”

Section: Threshold Irradiation Doses For Amorphization and Dislocatmentioning

confidence: 99%

Transmission electron microscopy study of extended defect evolution and amorphization in SiC under Si ion irradiation

Costantini

Ribis

2020

J Am Ceram Soc

View full text Add to dashboard Cite

The damage induced in 3C‐SiC epilayers on a silicon wafer by 2.3‐MeV Si ion irradiation for fluences of 1014, 1015, and 1016 cm−2, was studied by conventional and high‐resolution transmission electron microscopy (TEM/HRTEM). The evolution of extended defects and lattice disorder is followed in both the 3C‐SiC film and Si substrate as a function of ion fluence, with reference to previous FTIR spectroscopy data. The likelihood of athermal unfaulting of native stacking faults by point defect migration to the native stacking faults is discussed in relation to damage recovery. Threshold energy densities and irradiation doses for dislocation loop formation and amorphous phase transformation are deduced from the damage depth profile by nuclear collisions. The role of electronic excitations on the damage recovery at high fluence is also addressed for both SiC and Si.

show abstract

“…In the SRIM calculations, a threshold displacement energy of 40 eV was assumed for all the constituent elements. 20 Recent studies 21,22 show that ion-induced damage in both monoatomic and multi-elemental targets with a significant mass difference should be predicted using the full-cascade simulations, as the For 200 keV He ions in NiFe, the conversion factor from ion fluence (10 14 cm -2 ) to peak damage in dpa, based on the full-cascade versus quick TRIM, is 0.0061 or 0.0024 at a depth of ~ 495 nm, respectively.…”

Section: Damage Profile Predictionmentioning

confidence: 99%

Effects of 3d electron configurations on helium bubble formation and void swelling in concentrated solid-solution alloys

et al. 2019

Self Cite

View full text Add to dashboard Cite

Elemental specific chemical complexity is known to play a critical role in microstructure development in single-phase concentrated solid-solution alloys (SP-CSAs), including both He bubble formation and irradiation-induced void swelling. While cavity formation and evolution under ion irradiation at elevated temperature are complex nonequilibrium processes, chemical effects are revealed at the level of electrons and atoms herein in a simplified picture, using Ni and a special set of Ni-based SP-CSAs composed of 3d transition metals as model alloys. Based on Ni and model alloys with minimized variables (e.g., atomic mass, size, and lattice structure), we discuss the effects of chemically-biased energy dissipation, defect energetics, sluggish diffusion, and atomic transport on cavity formation and evolution under both self-ion Ni irradiation and He implantation. The observed difference in microstructure evolution is attributed to the effects of d electron interactions in their integrated ability to dissipate radiation energy. The demonstrated impact of alloying 3d transition metals with larger differences in the outermost electron counts suggests a simple design strategy of tuning defect properties for improved radiation tolerance in structural alloys.

show abstract

Predicting damage production in monoatomic and multi-elemental targets using stopping and range of ions in matter code: Challenges and recommendations

Cited by 184 publications

References 69 publications

Irradiation‐Induced Extremes Create Hierarchical Face‐/Body‐Centered‐Cubic Phases in Nanostructured High Entropy Alloys

Irradiation‐Induced Extremes Create Hierarchical Face‐/Body‐Centered‐Cubic Phases in Nanostructured High Entropy Alloys

Transmission electron microscopy study of extended defect evolution and amorphization in SiC under Si ion irradiation

Effects of 3d electron configurations on helium bubble formation and void swelling in concentrated solid-solution alloys

Contact Info

Product

Resources

About