Results 41 to 50 of about 121,447 (265)

Design principles for optimizing pyroelectric responses of doped HfO2

Applied Physics Express
Ferroelectric HfO _2 is an emerging pyroelectric material with promising energy-harvesting applications. Herein, via ab-initio molecular dynamics simulations, we investigate the role of dopants in tailoring the pyroelectricity in ferroelectric HfO _2 ...
Jian Liu
doaj   +1 more source

Four new tetragonal superhard sp3 carbon allotropes with wide direct band gaps

Results in Physics
In this study, four new tetragonal sp3 carbon allotropes with high dynamic and mechanical stabilities (I41/acd-C112, I4/mcm-C128, I4/mcm-C112, and I41/amd-C64) were predicted using first-principles calculations. The I41/acd-C112, I4/mcm-C128, I4/mcm-C112,
Xiaofei Jia, Qun Wei, Meiguang Zhang, Xuanmin Zhu   +3 more
doaj   +1 more source

Prediction of four Si3N4 compounds by first-principles calculations

AIP Advances, 2023
Four Si3N4 crystal structures were predicted using an ab initio evolutionary methodology. The mechanical and dynamic stabilities were confirmed by the density functional theory assuming zero-pressure conditions. Energetic stability calculations indicated
Qiaohe Wu, Zhongtang Huo, Chong Chen, Xiuqing Li, Zhou Wang, Changji Wang, Lianjie Zhang, Yufei Gao, Mei Xiong, Kunming Pan   +9 more
doaj   +1 more source

Application of Materials Genome Methods in Thermoelectrics

Frontiers in Materials, 2022
Materials genome methods have played an essential role in accelerating the discovery of high-performance novel materials, and include high-throughput calculation, database construction, and machine learning.
Yan Cao, Ye Sheng, Xin Li, Lili Xi, Jiong Yang   +4 more
doaj   +1 more source

Bridging the Gap in Neuroblastoma Care: Consensus‐Based Statements With Recommendations for Improved Patient and Caregiver Experiences

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Neuroblastoma's complex, heterogeneous biology poses significant diagnostic and therapeutic challenges, often requiring caregivers to absorb complex information and participate in time‐sensitive decisions. However, caregivers often feel unprepared to evaluate options.
Vickie Buenger, Joseph Bauer, Jennifer Diamond, Maggie Fader, Shae Hansen, Jacqueline M. Kraveka, Johanna Schoen, Amber Shearer, Dena Sherwood   +8 more
wiley   +1 more source

Consensus Standards and Recommendations for Developmental and Cognitive Surveillance, Screening, and Evaluation in Sickle Cell Disease: Executive Summary From the National Alliance of Sickle Cell Centers Neurocognitive Workgroup

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Neurodevelopmental and neurocognitive difficulties are prevalent among individuals with sickle cell disease and warrant prompt identification and support. This Special Report provides an executive summary of standards and recommendations for surveillance, screening, and evaluation for development and cognition across the lifespan developed by ...
Alyssa M. Schlenz, Donna Murdaugh, Andrew M. Heitzer, Jennifer N. Longoria, Wendy Santos‐Modesitt, Arianna Martin, Judy Cavazos, Jeff Schatz, Catherine R. Hoyt, Alison King, Eboni I. Lance, Steven Hardy, Marsha Treadwell   +12 more
wiley   +1 more source

First-principles calculations of Fe on GaAs(100) [PDF]

Physical Review B, 2003
9 pages, 14 figures, submitted to ...
Mirbt, S., Sanyal, B., Isheden, C., Johansson, B.   +3 more
openaire   +2 more sources

First-principles calculations of quantum transitions at local centers

Optical Materials: X, 2020
Fundamental quantum transitions at local centers are the basis for numerous technologies, including LED, laser, photodetection, and quantum computing.
Mao-Hua Du, Fernando A. Reboredo
doaj   +1 more source

Quantitative prediction of corrosion resistance in ferrous alloys: A first-principles study of coupled doping of alloying elements

Journal of Materials Research and Technology, 2023
The corrosion resistance of ferrous alloys is greatly influenced by the presence of alloying elements, however, predicting the coupling effects of these elements remains a challenge.
You Chen, Qingfeng Hou, Haitao Wang, En-Hou Han, Mingyang Gao, Zhiwei Qiao   +5 more
doaj   +1 more source

Infant Embryonal CNS Tumors: Molecular Insights and Treatment Considerations for Contemporary Pediatric Neuro‐Oncology

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Background Embryonal tumors comprise the majority of malignant central nervous system (CNS) neoplasms diagnosed in children under 3 years of age. Compared with their counterparts in older children, these tumors exhibit distinct molecular biology and a more aggressive clinical phenotype, while their management is complicated by the heightened ...
Sudarshawn Damodharan, Mariah Wright‐Nadkarni, Mohamed S. Abdelbaki, Girish Dhall   +3 more
wiley   +1 more source