Dennis D Klug
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Explore the profile of Dennis D Klug including associated specialties, affiliations and a list of published articles.
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24
Citations
97
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Recent Articles
1.
Dharma-Wardana M, Klug D, Poole H, Gregori G
Phys Rev E
. 2025 Feb;
111(1-2):015205.
PMID: 39972773
Recent cutting-edge experiments have provided in situ structure characterization and measurements of the pressure (P), density (ρ[over ¯]), and temperature (T) of shock compressed silicon in the 100 GPa range...
2.
Dharma-Wardana M, Klug D, Remsing R
Phys Rev Lett
. 2020 Aug;
125(7):075702.
PMID: 32857559
We use computationally simple neutral pseudoatom ("average atom") density functional theory (DFT) and standard DFT to elucidate liquid-liquid phase transitions (LPTs) in liquid silicon. An ionization-driven transition and three LPTs...
3.
Tulk C, Molaison J, Makhluf A, Manning C, Klug D
Nature
. 2019 May;
569(7757):542-545.
PMID: 31118522
Amorphous water ice comes in at least three distinct structural forms, all lacking long-range crystalline order. High-density amorphous ice (HDA) was first produced by compressing ice I to 11 kilobar...
4.
Majumdar A, Klug D, Yao Y
J Chem Phys
. 2016 Apr;
144(12):124507.
PMID: 27036461
First principles calculations identified a phase transition in aluminium triiodide (AlI3) and predicted its physical and spectroscopic properties under high pressure conditions. A high pressure monoclinic phase is predicted to...
5.
Sun J, Martinez-Canales M, Klug D, Pickard C, Needs R
Phys Rev Lett
. 2013 Nov;
111(17):175502.
PMID: 24206503
The phase diagram and equation of state of dense nitrogen are of interest in understanding the fundamental physics and chemistry under extreme conditions, including planetary processes, and in discovering new...
6.
Yao Y, Klug D
J Chem Phys
. 2013 Mar;
138(9):094501.
PMID: 23485307
High-pressure phase transitions in Al2Br6 were theoretically investigated using first principles density functional methods. A structural transformation from the initial molecular solid phase to a planar polymeric phase is predicted...
7.
Kumar R, Klug D, Ratcliffe C, Tulk C, Ripmeester J
Angew Chem Int Ed Engl
. 2013 Jan;
52(5):1531-4.
PMID: 23280637
No abstract available.
8.
Yao Y, Klug D
J Phys Condens Matter
. 2012 Jun;
24(26):265401.
PMID: 22692144
The question raised recently about whether the high-pressure phase transitions of Mg follow a hexagonal close-packed (hcp) → body centered cubic (bcc) or hcp → double hexagonal close-packed (dhcp) →...
9.
Tse J, Klug D
Phys Chem Chem Phys
. 2012 May;
14(23):8255-63.
PMID: 22584826
We offer our viewpoint on the nature of amorphous ices produced by pressurization of crystalline ice Ih and the inter-relationship between them from an atomistic perspective. We argue that the...
10.
Flacau R, Yao Y, Klug D, Desgreniers S, Ratcliffe C
Phys Chem Chem Phys
. 2012 Apr;
14(19):7005-11.
PMID: 22491482
A combined experimental and theoretical study of hydrogen-rich ammonium borohydride (NH4BH4) subjected to pressures up to 10 GPa indicates two phase transitions, detected by synchrotron radiation powder X-ray diffraction, Raman...