scholarly journals Revisiting Weertman's tombstone bed

2019 ◽  
Vol 60 (80) ◽  
pp. 21-29 ◽  
Author(s):  
Douglas R. MacAyeal
Keyword(s):  
Numerical Methods ◽  
First Principles ◽  
Stress Singularities ◽  
Pedagogical Tool ◽  
Carnegie Institute ◽  
Sharp Edges ◽  
Bed Roughness ◽  
Institute Of Technology

AbstractJohannes Weertman published his first glaciological paper in 1957 only 5 years after getting his DSc in metallurgy from the Carnegie Institute of Technology. The paper presented the very first sliding law developed quantitatively from first principles, and involved the unconventional idealization of bed roughness using cubic ‘tombstones’ of rock. Since 1957, there has been a great deal of progress in understanding glacier sliding, but few studies, if any, have preserved the original tombstone geometry that was a hallmark of this first theory. The current study presents a partial reanalysis of the sliding process over a bed with tombstone obstacles using modern numerical methods. The result confirms the enduring applicability of Weertman's model as a pedagogical tool and motivates new questions about (1) folding flow near bedrock obstacles that invert normal ice stratigraphy, (2) the presence and role of stress singularities on sharp edges of bedrock, and (3) the validity of a presumption that regelation flow can be plug-like.

First-principles Investigation of Edged Ferroelectric PbTiO3 Nanowires and the Role of Axial Strain

2009 ◽  
Vol 1199 ◽  
Author(s):  
Takahiro Shimada ◽  
Shogo Tomoda ◽  
Takayuki Kitamura
Keyword(s):  
Cross Section ◽  
First Principles ◽  
Electronic Structures ◽  
Axial Strain ◽  
Covalent Bond ◽  
First Principles Calculations ◽  
Significant Suppression ◽  
Axial Tension ◽  
Sharp Edges

AbstractAtomistic and electronic structures of PbTiO3 nanowires with atomically sharp edges consisting of (100)/(010) surfaces using first-principles calculations. Ferroelectricity is enhanced at the PbO-terminated edge in the nanowire because the Pb-O covalent bond that predominates the ferroelectric distortions is partially strengthened. On the other hand, a significant suppression is observed in the TiO2-terminated nanowire. Surprisingly, the smallest (one-unit-cell cross- section) PbO-terminated nanowire can keep ferroelectricity, while ferroelectricity disappears in the TiO2-terminated nanowires with a diameter of smaller than 17 Å. The ferroelectricity is recovered by axial tension, where the thinner nanowire requires the higher critical strain.

Role of dislocations in the bcc-hcp transition under high pressure: A first-principles approach in beryllium

2020 ◽  
Vol 4 (6) ◽  
Author(s):  
Vanessa Riffet ◽  
Bernard Amadon ◽  
Nicolas Bruzy ◽  
Christophe Denoual
Keyword(s):  
High Pressure ◽  
First Principles

A first-principles study of the atomic layer deposition of ZnO on carboxyl functionalized carbon nanotubes: the role of water molecules

2021 ◽  
Vol 23 (5) ◽  
pp. 3467-3478
Author(s):  
J. I. Paez-Ornelas ◽  
H. N. Fernández-Escamilla ◽  
H. A. Borbón-Nuñez ◽  
H. Tiznado ◽  
Noboru Takeuchi ◽  
...  
Keyword(s):  
First Principles ◽  
Ligand Exchange ◽  
Functional Group ◽  
Atomic Layer ◽  
High Reactivity ◽  
Water Molecules ◽  
Exchange Reactions ◽  
Layer Deposition ◽  
The Right

Atomic description of ALD in systems that combine large surface area and high reactivity is key for selecting the right functional group to enhance the ligand-exchange reactions.

Recent Aspects on the Effect of Inclusion Characteristics on the Intragranular Ferrite Formation in Low Alloy Steels: A Review

2017 ◽  
Vol 36 (4) ◽  
pp. 309-325 ◽  
Author(s):  
Wangzhong Mu ◽  
Pär Göran Jönsson ◽  
Keiji Nakajima
Keyword(s):  
Heat Affected Zone ◽  
Low Alloy Steels ◽  
Low Carbon ◽  
Intragranular Ferrite ◽  
Metallic Inclusions ◽  
Theoretical Investigations ◽  
Alloy Steels ◽  
Institute Of Technology ◽  
Future Work

AbstractIntragranular ferrite (IGF), which nucleates from specific inclusion surfaces in low alloy steels, is the desired microstructure to improve mechanical properties of steel such as the toughness. This microstructure is especially important in the coarse grain heat affected zone (CGHAZ) of weldments. The latest review paper focusing on the role of non-metallic inclusions in the IGF formation in steels has been reported by Sarma et al. in 2009 (ISIJ int., 49(2009), 1063–1074). In recent years, large amount of papers have been presented to investigate different issues of this topic. This paper mainly highlights the frontiers of experimental and theoretical investigations on the effects of inclusion characteristics, such as the composition, size distribution and number density, on the IGF formation in low carbon low-alloyed steels, undertaken by the group of Applied Process Metallurgy, KTH Royal Institute of Technology. Related results reported in previous studies are also introduced. Also, plausible future work regarding various items of IGF formation is mentioned in each section. This work aims to give a better control of improving the steel quality during casting and in the heat affected zone (HAZ) of weldment, according to the concept of oxide metallurgy.

First-principles insights into role of hydrogen atom in black titania

2017 ◽  
Vol 139 ◽  
pp. 84-88 ◽  
Author(s):  
S. Samaneh Ataei ◽  
S. Javad Hashemifar ◽  
Mohammad Reza Mohammadizadeh
Keyword(s):  
Hydrogen Atom ◽  
First Principles

An effective and efficient approach to p-type AlN by Be2:O codoping from first-principles calculations

2016 ◽  
Vol 30 (20) ◽  
pp. 1650257
Author(s):  
Meng Zhao ◽  
Wenjun Wang ◽  
Jun Wang ◽  
Junwei Yang ◽  
Weijie Hu ◽  
...  
Keyword(s):  
First Principles ◽  
Ionization Energy ◽  
Hole Concentration ◽  
Valence Band Maximum ◽  
First Principles Calculations ◽  
Mutual Compensation ◽  
Efficient Approach ◽  
P Type ◽  
Codoping Method

Various Be:O-codoped AlN crystals have been investigated via first-principles calculations to evaluate the role of the different combinations in effectively and efficiently inducing p-type carriers. It is found that the O atom is favored to bond with two Be atoms. The formed Be2:O complexes decrease the acceptor ionization energy to 0.11 eV, which is 0.16 eV lower than that of an isolated Be in AlN, implying that the hole concentration could probably be increased by 2–3 orders of magnitude. The electronic structure of Be2:O-codoped AlN shows that the lower ionization energy can be attributed to the interaction between Be and O. The Be–O complexes, despite failing to induce p-type carriers for the mutual compensation of Be and O, introduce new occupied states on the valence-band maximum (VBM) and hence the energy needed for the transition of electrons to the acceptor level is reduced. Thus, the Be2:O codoping method is expected to be an effective and efficient approach to realizing p-type AlN.

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