Journal Article FZJ-2016-05404

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Atomistic modeling and experimental studies of radiation damage in monazite-type LaPO$_{4}$ ceramics

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2017
Elsevier Amsterdam [u.a.]

Nuclear instruments & methods in physics research / B 393, 54-58 () [10.1016/j.nimb.2016.09.031]

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Abstract: We simulated the threshold displacement energies (EdEd), the related displacement and defect formation probabilities, and the energy barriers in LaPO4 monazite-type ceramics. The obtained EdEd values for La, P, O primary knock-on atoms (PKA) are 56 eV, 75 eV and 8 eV, respectively. We found that these energies can be correlated with the energy barriers that separate the defect from the initial states. The EdEd values are about twice the values of energy barriers, which is explained through an efficient dissipation of the PKA kinetic energy in the considered system. The computed EdEd were used in simulations of the extent of radiation damage in La0.2Gd0.8PO4 solid solution, investigated experimentally. We found that this lanthanide phosphate fully amorphises in the ion beam experiments for fluences higher than ∼1013 ions/cm2.

Classification:

Contributing Institute(s):
  1. Nukleare Entsorgung und Reaktorsicherheit (IEK-6)
  2. JARA - HPC (JARA-HPC)
Research Program(s):
  1. 161 - Nuclear Waste Management (POF3-161) (POF3-161)
  2. Investigation of the new materials for safe management of high level nuclear waste. (jiek61_20131101) (jiek61_20131101)
  3. Investigation of the new materials for safe management of high level nuclear waste. (jara0038_20121101) (jara0038_20121101)
  4. Towards controlled QCD transport coefficients (jara0039_20121101) (jara0039_20121101)
  5. HITEC - Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC) (HITEC-20170406) (HITEC-20170406)

Appears in the scientific report 2017
Database coverage:
Medline ; Current Contents - Engineering, Computing and Technology ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; NationallizenzNationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection
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Dokumenttypen > Aufsätze > Zeitschriftenaufsätze
JARA > JARA > JARA-JARA\-HPC
Institutssammlungen > IFN > IFN-2
Workflowsammlungen > Öffentliche Einträge
IEK > IEK-6
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 Datensatz erzeugt am 2016-10-17, letzte Änderung am 2024-07-12


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