JuLib | Articles & more - {"Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)"}

Characterization of Ceramics Nuclear Waste Forms: Advantage of Joint Experimental and Computational Studies

Kowalski, Piotr
2017

“...Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)...”

3

Heat capacities of xenotime-type ceramics: An accurate ab initio prediction

Ji, Yaqi
2017

Journal of nuclear materials, 494 (2017) S. 172 - 181

“...Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)...”

4

New insights into phosphate based materials for the immobilisation of actinides

Neumeier, Stefan
2017

Radiochimica acta, 105 (2017) 11, S. 961-984

“...Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)...”
Published on 2017-10-12. Available in OpenAccess from 2018-10-12.

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Towards Reliable Modeling of Challenging f Electrons Bearing Materials: Experience from Modeling of Nuclear Materials.

Kowalski, Piotr
2017

MRS advances, 2 (2017) 9, S. 491-497

“...Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)...”

6

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

Ji, Yaqi
2017

Nuclear instruments & methods in physics research / B, 393 (2017) S. 54-58

“...Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)...”

7

Thermochemistry of La$_{1-x}$Ln$_{x}$PO$_{4}$-monazites (Ln = Gd, Eu)

Neumeier, Stefan
2017

The journal of chemical thermodynamics, 105 (2017) S. 396–403

“...Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)...”

8

Simulation of ceramic materials relevant for nuclear waste management: Case of La$_{1−x}$Eu$_{x}$PO$_{4}$ solid solution

Kowalski, Piotr
2017

Nuclear instruments & methods in physics research / B, 393 (2017) S. 68–72

“...Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)...”

9

Contribution to a book

Feasible and Reliable AB Initio Approach to Computation of Materials Relevant for Nuclear Waste Management

Kowalski, Piotr
2016

“...Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)...”

10

Contribution to a book

Atomistic Simulations of Ceramic Materials Relevant for Nuclear Waste Management: Cases of Monazlte and Pyrochlore

Li, Y.
2016

“...Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)...”

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Nonstoichiometry in Strontium Uranium Oxide: Understanding the Rhombohedral–Orthorhombic Transition in SrUO$_{4}$

Murphy, Gabriel L.
2016

Inorganic chemistry, 55 (2016) 18, S. 9329–9334

“...Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)...”

12

Giant Volume Change and Topological Gaps in Temperature- and Pressure-Induced Phase Transitions: Experimental and Computational Study of ThMo 2 O 8

Xiao, Bin
2016

Chemistry - a European journal, 22 (2016) 3, S. 946 - 958

“...Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)...”

13

Reliable and efficient ab initio simulations of computationally challenging materials

Kowalski, Piotr
2016

“...Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)...”

14

Large scale simulations of nuclear materials

Ji, Yaqi
2016

“...Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)...”

15

Feasible and reliable ab initio calculation of F-elements-bearing materials relevant for nuclear waste management

Kowalski, Piotr
2016

“...Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)...”

16

Parameter free DFT+U method for efficient modelling of nuclear materials

Beridze, George
2016

“...Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)...”

17

Towards reliable modeling of challenging f-electrons bearing materials: Experience from modeling of nuclear materials

Kowalski, Piotr
2016

“...Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)...”

18

Large scale simulations of monazite-type ceramic nuclear waste forms

Ji, Yaqi
2016

“...Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)...”

19

Large scale simulations of nuclear waste materials

Ji, Yaqi
2016

“...Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC)...”

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