Results 61 to 70 of about 23,460 (281)
Second-nearest-neighbor modified embedded-atom method interatomic potential for V-M (M = Cu, Mo, Ti) binary systems [PDF]
, 2021 Interatomic potentials for V-M (M = Cu, Mo, Ti) binary systems have been developed within the framework of the second-nearest-neighbor modified embedded-atom method (2NN MEAM) formalism.
Wang, J., Lee, B.-J.
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Crack propagation in nanograined titanium diboride: Molecular dynamics study
Next MaterialsMolecular dynamics simulations were employed to investigate the crack propagation behavior of single-crystalline and nanograined titanium diboride (TiB2).
Vadym Shvernyk +2 more
doaj +1 more source
Comparative studies of interatomic potentials for modeling point defects in wurtzite GaN
AIP Advances, 2023 In this paper, a new version of the Stillinger–Weber (SW) potential for wurtzite GaN is presented, by which we systematically explore the structural and thermodynamical properties of native point defects and their complexes.
Huaping Lei, Jun Chen, Pierre Ruterana
doaj +1 more source
Molecular Oncology, EarlyView.This study shows that lung adenocarcinomas exploit developmental branching morphogenesis to acquire a therapy resistant basal‐like tumour cell state. This process was found to be regulated by combined TP53 loss‐of‐function and type‐I interferon signalling, identifying a novel axis for biomarker and therapeutic target discovery.
Kamila J Bienkowska +13 more
wiley +1 more source
Surface segregation in CuPt alloys by means of an improved modified embedded atom method [PDF]
, 2007 We present a procedure to investigate surface structures in CuPt alloys by combining the modified embedded atom method (MEAM) and the cluster expansion method (CEM).
Declerck, Reinout +4 more
core +1 more source
Evolutionarily divergent DUF4465 domains have a common vitamin B12‐binding function
FEBS Open Bio, EarlyView.We show that DUF4465 family proteins, widespread across bacteria from gut microbiomes, hydrothermal vents, and soil, share a common vitamin B12‐binding function. These augmented β‐jellyroll proteins bind vitamin B12 via extended loops. Our findings establish sequence‐diverse DUF4465 proteins as a widespread class of B12‐binding proteins, highlighting ...
Charlea Clarke +4 more
wiley +1 more source
A Modified Embedded-Atom Method Interatomic Potential for Ionic Systems: 2NNMEAM+Qeq [PDF]
, 2016 An interatomic potential model that can simultaneously describe metallic, covalent, and ionic bonding is suggested by combining the second nearest-neighbor modified embedded-atom method (2NNMEAM) and the charge equilibration (Qeq) method, as a further ...
Baskes, MI +3 more
core +1 more source
FEBS Open Bio, EarlyView.Pharmacological inhibition of PERK in a DEN‐induced mouse model of liver cancer does not reduce tumor burden but alters cellular stress signaling. Despite blocking PERK activity, downstream stress responses, including CHOP expression, remain active, suggesting compensatory mechanisms within the unfolded protein response that may influence tumor ...
Ada Lerma‐Clavero +5 more
wiley +1 more source
A modified Embedded-Atom Method interatomic potential for uranium-silicide
Journal of Nuclear Materials, 2017 Abstract Uranium-silicide (U-Si) fuels are being pursued as a possible accident tolerant fuel (ATF). This uranium alloy fuel benefits from higher thermal conductivity and higher fissile density compared to uranium dioxide (UO 2 ). In order to perform engineering scale nuclear fuel performance simulations, the material properties of the fuel must be ...
Benjamin Beeler +4 more
openaire +2 more sources
Modified embedded atom method calculations of interfaces [PDF]
, 1996 The Embedded Atom Method (EAM) is a semi-empirical calculational method developed a decade ago to calculate the properties of metallic systems. By including many-body effects this method has proven to be quite accurate in predicting bulk and surface ...
Baskes, M.I.
core