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Items: 1 to 20 of 68

1.

Interplay of Chemistry and Faceting at Grain Boundaries in a Model Al Alloy.

Zhao H, Huber L, Lu W, Peter NJ, An D, De Geuser F, Dehm G, Ponge D, Neugebauer J, Gault B, Raabe D.

Phys Rev Lett. 2020 Mar 13;124(10):106102. doi: 10.1103/PhysRevLett.124.106102.

PMID:
32216435
2.

Phonon Lifetimes throughout the Brillouin Zone at Elevated Temperatures from Experiment and Ab Initio.

Glensk A, Grabowski B, Hickel T, Neugebauer J, Neuhaus J, Hradil K, Petry W, Leitner M.

Phys Rev Lett. 2019 Dec 6;123(23):235501. doi: 10.1103/PhysRevLett.123.235501.

PMID:
31868491
3.

Does the manual insertion torque of smartpegs affect the outcome of implant stability quotients (ISQ) during resonance frequency analysis (RFA)?

Kästel I, de Quincey G, Neugebauer J, Sader R, Gehrke P.

Int J Implant Dent. 2019 Dec 12;5(1):42. doi: 10.1186/s40729-019-0195-1.

4.

The Basics of Electronic Structure Theory for Periodic Systems.

Kratzer P, Neugebauer J.

Front Chem. 2019 Mar 13;7:106. doi: 10.3389/fchem.2019.00106. eCollection 2019. Review.

5.

Ultrastrong Medium-Entropy Single-Phase Alloys Designed via Severe Lattice Distortion.

Sohn SS, Kwiatkowski da Silva A, Ikeda Y, Körmann F, Lu W, Choi WS, Gault B, Ponge D, Neugebauer J, Raabe D.

Adv Mater. 2019 Feb;31(8):e1807142. doi: 10.1002/adma.201807142. Epub 2018 Dec 28.

PMID:
30592339
6.

Anomalous Phonon Lifetime Shortening in Paramagnetic CrN Caused by Spin-Lattice Coupling: A Combined Spin and Ab Initio Molecular Dynamics Study.

Stockem I, Bergman A, Glensk A, Hickel T, Körmann F, Grabowski B, Neugebauer J, Alling B.

Phys Rev Lett. 2018 Sep 21;121(12):125902. doi: 10.1103/PhysRevLett.121.125902.

7.

Discovery of Elusive K4 O6 , a Compound Stabilized by Configurational Entropy of Polarons.

Freysoldt C, Merz P, Schmidt M, Mohitkar S, Felser C, Neugebauer J, Jansen M.

Angew Chem Int Ed Engl. 2019 Jan 2;58(1):149-153. doi: 10.1002/anie.201809409. Epub 2018 Nov 26.

PMID:
30294899
8.

Origin of the Low Magnetic Moment in Fe₂AlTi: An Ab Initio Study.

Friák M, Slávik A, Miháliková I, Holec D, Všianská M, Šob M, Palm M, Neugebauer J.

Materials (Basel). 2018 Sep 14;11(9). pii: E1732. doi: 10.3390/ma11091732.

9.

Strain-Induced Asymmetric Line Segregation at Faceted Si Grain Boundaries.

Liebscher CH, Stoffers A, Alam M, Lymperakis L, Cojocaru-Mirédin O, Gault B, Neugebauer J, Dehm G, Scheu C, Raabe D.

Phys Rev Lett. 2018 Jul 6;121(1):015702. doi: 10.1103/PhysRevLett.121.015702.

PMID:
30028158
10.

First-Principles Approach to Model Electrochemical Reactions: Understanding the Fundamental Mechanisms behind Mg Corrosion.

Surendralal S, Todorova M, Finnis MW, Neugebauer J.

Phys Rev Lett. 2018 Jun 15;120(24):246801. doi: 10.1103/PhysRevLett.120.246801.

11.

Selective Solvent-Induced Stabilization of Polar Oxide Surfaces in an Electrochemical Environment.

Yoo SH, Todorova M, Neugebauer J.

Phys Rev Lett. 2018 Feb 9;120(6):066101. doi: 10.1103/PhysRevLett.120.066101.

PMID:
29481276
12.

Operando Phonon Studies of the Protonation Mechanism in Highly Active Hydrogen Evolution Reaction Pentlandite Catalysts.

Zegkinoglou I, Zendegani A, Sinev I, Kunze S, Mistry H, Jeon HS, Zhao J, Hu MY, Alp EE, Piontek S, Smialkowski M, Apfel UP, Körmann F, Neugebauer J, Hickel T, Roldan Cuenya B.

J Am Chem Soc. 2017 Oct 18;139(41):14360-14363. doi: 10.1021/jacs.7b07902. Epub 2017 Oct 4.

PMID:
28937775
13.

Origin of Structural Modulations in Ultrathin Fe Films on Cu(001).

Zhang X, Hickel T, Rogal J, Neugebauer J.

Phys Rev Lett. 2017 Jun 9;118(23):236101. doi: 10.1103/PhysRevLett.118.236101. Epub 2017 Jun 9.

PMID:
28644663
14.

Hydrogen behaviour at twist {110} grain boundaries in α-Fe.

McEniry EJ, Hickel T, Neugebauer J.

Philos Trans A Math Phys Eng Sci. 2017 Jul 28;375(2098). pii: 20160402. doi: 10.1098/rsta.2016.0402.

15.

Functional adaptation of crustacean exoskeletal elements through structural and compositional diversity: a combined experimental and theoretical study.

Fabritius HO, Ziegler A, Friák M, Nikolov S, Huber J, Seidl BH, Ruangchai S, Alagboso FI, Karsten S, Lu J, Janus AM, Petrov M, Zhu LF, Hemzalová P, Hild S, Raabe D, Neugebauer J.

Bioinspir Biomim. 2016 Sep 9;11(5):055006. doi: 10.1088/1748-3190/11/5/055006.

PMID:
27609556
16.

Deformation-Induced Martensite: A New Paradigm for Exceptional Steels.

Djaziri S, Li Y, Nematollahi GA, Grabowski B, Goto S, Kirchlechner C, Kostka A, Doyle S, Neugebauer J, Raabe D, Dehm G.

Adv Mater. 2016 Sep;28(35):7753-7. doi: 10.1002/adma.201601526. Epub 2016 Jul 4.

PMID:
27376873
17.

Changes in volume during the four months' remodelling period of iliac crest grafts in reconstruction of the alveolar ridge.

Dreiseidler T, Kaunisaho V, Neugebauer J, Zöller JE, Rothamel D, Kreppel M.

Br J Oral Maxillofac Surg. 2016 Sep;54(7):751-6. doi: 10.1016/j.bjoms.2016.04.024. Epub 2016 May 13.

PMID:
27185231
18.

Impact of magnetic fluctuations on lattice excitations in fcc nickel.

Körmann F, Ma PW, Dudarev SL, Neugebauer J.

J Phys Condens Matter. 2016 Feb 24;28(7):076002. doi: 10.1088/0953-8984/28/7/076002. Epub 2016 Jan 26.

PMID:
26812022
19.

Ab Initio Determined Phase Diagram of Clean and Solvated Muscovite Mica Surfaces.

Vatti AK, Todorova M, Neugebauer J.

Langmuir. 2016 Feb 2;32(4):1027-33. doi: 10.1021/acs.langmuir.5b04087. Epub 2016 Jan 20.

PMID:
26741784
20.

Effects of various chair-side surface treatment methods on dental restorative materials with respect to contact angles and surface roughness.

Sturz CR, Faber FJ, Scheer M, Rothamel D, Neugebauer J.

Dent Mater J. 2015;34(6):796-813. doi: 10.4012/dmj.2014-098.

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