Results 51 to 60 of about 21,812,597 (319)
First-principles calculations on dislocations in MgO
Science and Technology of Advanced MaterialsWhile ceramic materials are widely used in our society, their understanding of the plasticity is not fully understood. MgO is one of the prototypical ceramics, extensively investigated experimentally and theoretically. However, there is still controversy
Shin Kiyohara +2 more
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Extended uncertainty from first principles
Physics Letters B, 2016 A translation operator acting in a space with a diagonal metric is introduced to describe the motion of a particle in a quantum system. We show that the momentum operator and, as a consequence, the uncertainty relation now depend on the metric.
Raimundo N. Costa Filho +3 more
doaj +1 more source
Crystals, 2020 In this paper, the structure and photoelectric characteristics of zincblende InxGa1−xN alloys are systematically calculated and analyzed based on the density functional theory, including the lattice constant, band structure, distribution of electronic ...
Juan Song +9 more
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Logos and Logoi in Plotinus. Their nature and Function [PDF]
SCHOLE, 2009 The universe is the result of a production that pertains not to craft, but to nature. This production does not involve either reasoning or concepts, but is the result of a power that acts on matter like an imprint.
Brisson, Luc
doaj
Materials Research Express, 2023 MoSi _2 is one of the most promising refractory metal silicide materials, but its further use as a structural material is limited by its drawbacks such as poor room-temperature toughness and low high-temperature strength.
YuRui Wang +5 more
doaj +1 more source
Deconvoluting the XPS spectra for nitrogen-doped chars: An analysis from first principles
, 2020 Quantifying the content of surface nitrogen and oxygen containing functional groups in amorphous nitrogen doped carbons via deconvolution of C 1s x-ray photoelectron (XPS) spectra remains difficult due to limited information in the literature. To improve
Michael Ayiania +5 more
semanticscholar +1 more source
Clinical Insights Into Hypercalcemia of Malignancy in Childhood
Pediatric Blood &Cancer, EarlyView.ABSTRACT Hypercalcemia of malignancy (HCM) is a rare but life‐threatening metabolic emergency in children that occurs in less than 1% of pediatric cancer cases, with a reported incidence ranging from 0.4% to 1.0% across different studies. While it is observed in 10%–20% of adult malignancies, pediatric HCM remains relatively uncommon.
Hüseyin Anıl Korkmaz
wiley +1 more source
Frontiers in Chemistry, 2020 We investigate a reduced scaling full-potential DFT method based on the multiple scattering theory (MST) code MuST, which is released online (https://github.com/mstsuite/MuST) very recently.
Peiyu Cao +5 more
doaj +1 more source
Electron-phonon interactions from first principles [PDF]
, 2016 This article reviews the theory of electron-phonon interactions in solids from the point of view of ab-initio calculations. While the electron-phonon interaction has been studied for almost a century, predictive non-empirical calculations have become ...
F. Giustino
semanticscholar +1 more source
Pediatric Blood &Cancer, EarlyView.ABSTRACT End‐of‐life conversations with adolescents and young adults (AYAs) with cancer rarely occur without the guidance of healthcare professionals. As a part of the ‘Difficult Discussions’ study, focused on palliative care and advance care planning discussions with AYAs with cancer, we investigated the factors that healthcare professionals identify ...
Justine Lee +9 more
wiley +1 more source