Effect of nonlinear and noncollinear transformation strain pathways in phase-field modeling of nucleation and growth during martensite transformation

The phase-field microelasticity theory has exhibited great capacities in studying elasticity and its effects on microstructure evolution due to various structural and chemical non-uniformities (impurities and defects) in solids. However, the usually adopted linear and/or collinear coupling between eigen transformation strain tensors and order parameters in phase-field microelasticity have excluded many nonlinear transformation pathways that have been revealed in many atomistic calculations. Here we extend phase-field microelasticity by adopting general nonlinear and noncollinear eigen transformation strain paths, which allows for the incorporation of complex transformation pathways and provides a multiscale modeling scheme linking atomistic mechanisms with overall kinetics to better describe solid-state phase transformations. Our case study on a generic cubic to tetragonal martensitic transformation shows that nonlinear transformation pathways can significantly alter the nucleation and growth rates, as well as the configuration and activation energy of the critical nuclei. It is also found that for a pure-shear martensitic transformation, depending on the actual transformation pathway, the nuclei and austenite/martensite interfaces can have nonzero far-field hydrostatic stress and may thus interact with other crystalline defects such as point defects and/or background tension/compression field in a more profound way than what is expected from a linear transformation pathway. Further significance is discussed on the implication of vacancy clustering at austenite/martensite interfaces and segregation at coherent precipitate/matrix interfaces.National Science Foundation (U.S.). Division of Materials Research (DMR-1410322)National Science Foundation (U.S.). Division of Materials Research (DMR-1410636

Crystal metamorphosis at stress extremes: how soft phonons turn into lattice defects

r The Author(s) 2016 At 0 K, phonon instability controls the ideal strength and the ultrafast dynamics of defect nucleation in perfect crystals under high stress. However, how a soft phonon evolves into a lattice defect is still unclear. Here, we develop a full-Brillouin zone soft-phonon-searching algorithm that shows outstanding accuracy and efficiency for pinpointing general phonon instability within the joint material-reciprocal (x–k) spaces. By combining finite-element modeling with embedded phonon algorithm and atomistic simulation, we show how a zone-boundary soft phonon is first triggered in a simple metal (aluminum) under nanoindentation, subsequently leading to a transient new crystal phase and ensuing nucleation of a deformation twin with only one-half of the transformation strain of the conventional twin. We propose a two-stage mechanism governing the transformation of unstable shortwave phonons into lattice defects, which is fundamentally different from that initially triggered by soft long-wavelength phonons. The uncovered material dynamics at stress extremes reveal deep connections between delocalized phonons and localized defects trapped by the full nonlinear potential energy landscape and add to the rich repertoire of nonlinear dynamics found in nature.National Natural Science Foundation of China (Grant No. 50971090)National Natural Science Foundation of China (Grant No. 51071101)National Natural Science Foundation of China (Grant No. 51471107)National Science Foundation (U.S.). Division of Materials Research (DMR-410636

A new 3-DOF 2T1R parallel mechanism: Topology design and kinematics

This article presents a new three-degree-of-freedom (3-DOF) parallel mechanism (PM) with two translations and one rotation (2T1R), designed based on the topological design theory of the parallel mechanism using position and orientation characteristics (POC). The PM is primarily intended for use in package sorting and delivery. The mobile platform of the PM moves along a translation axis, picks up objects from a conveyor belt, and tilts them to either side of the axis. We first calculate the PM's topological characteristics, such as the degree of freedom (DOF) and the degree of coupling, and provide its topological analytical formula to represent the topological information of the PM. Next, we solve the direct and inverse kinematic models based on the kinematic modelling principle using the topological features. The models are purely analytic and are broken down into a series of quadratic equations, making them suitable for use in an industrial robot. We also study the singular configurations to identify the serial and parallel singularities. Using the decoupling properties, we size the mechanism to address the package sorting and depositing problem using an algebraic approach. To determine the smallest segment lengths, we use a cylindrical algebraic decomposition to solve a system with inequalities.Comment: IDETC-CIE 2023 International Design Engineering Technical Conferences & Computers and Information in Engineering Conference, ASME, Aug 2023, Boston, Franc

Weighted AdaGrad with Unified Momentum

Integrating adaptive learning rate and momentum techniques into SGD leads to a large class of efficiently accelerated adaptive stochastic algorithms, such as Nadam, AccAdaGrad, \textit{etc}. In spite of their effectiveness in practice, there is still a large gap in their theories of convergences, especially in the difficult non-convex stochastic setting. To fill this gap, we propose \emph{weighted AdaGrad with unified momentum}, dubbed AdaUSM, which has the main characteristics that (1) it incorporates a unified momentum scheme which covers both the heavy ball momentum and the Nesterov accelerated gradient momentum; (2) it adopts a novel weighted adaptive learning rate that can unify the learning rates of AdaGrad, AccAdaGrad, Adam, and RMSProp. Moreover, when we take polynomially growing weights in AdaUSM, we obtain its $\mathcal{O}(\log(T)/\sqrt{T})$ convergence rate in the non-convex stochastic setting. We also show that the adaptive learning rates of Adam and RMSProp correspond to taking exponentially growing weights in AdaUSM, which thereby provides a new perspesctive for understanding Adam and RMSProp. Lastly, comparative experiments of AdaUSM against SGD with momentum, AdaGrad, AdaEMA, Adam, and AMSGrad on various deep learning models and datasets are also provided

Methanotrophic abundance and community fingerprint in pine and tea plantation soils as revealed by molecular methods

Understanding the community structure of methane-oxidizing bacteria (methanotrophs) is important to assess the microbial oxidation of the greenhouse gas methane (CH4) in soil under different land uses. Soil samples were collected from two plantation plots of pine and tea in southern China. Methanotrophic abundance was quantified with quantitative real-time polymerase chain reaction (qPCR) based on the 16S rRNA and pmoA genes, and the community fingerprint was characterized with denaturing gradient gel electrophoresis (DGGE) targeting the pmoA gene. No significant difference in the gene copy numbers of methanotrophs was found between the pine and tea land-use, regardless of 16S rRNA and pmoA genes. Higher abundance of type I (1.35 vs 1.66×108 copie g-1 soil) over type II methanotrophs (8.59 vs 10.9 × 107) were found both in pine and tea plantation soils. Apparent differences in methanotrophic community fingerprint were observed between the pine and tea treatments. Correlations analysis between methanotrophic abundance and soil characteristics, combining with canonial correspondence analysis (CCA) regarding community fingerprint and environmental parameters indicated that soil pH and available phosphorus were the most important factors potentially affecting the methanotrophic community diversity in the acidic red soil.Key words: Denaturing gradient gel electrophoresis (DGGE), land use, methanotrophs, pmoA gene, quantitative real-time PCR (qPCR)

A review of ammonia-oxidizing bacteria and archaea in Chinese soils

Ammonia (NH3) oxidation, the first and rate-limiting step of nitrification, is a key step in the global Nitrogen (N) cycle. Major advances have been made in recent years in our knowledge and understanding of the microbial communities involved ammonia oxidation in a wide range of habitats, including Chinese agricultural soils. In this mini-review, we focus our attention on the distribution and community diversity of ammonia-oxidizing bacteria (AOB) and ammonia oxidizing archaea (AOA) in Chinese soils with variable soil properties and soil management practices. The niche differentiation of AOB and AOA in contrasting soils have been functionally demonstrated using DNA-SIP (stable isotope probing) methods, which have shown that AOA dominate nitrification processes in acidic soils, while AOB dominated in neutral, alkaline and N-rich soils. Finally, we discuss the composition and activity of ammonia oxidizer in paddy soils, as well as the mitigation of the greenhouse gas nitrous oxide (N2O) emissions and nitrate leaching via inhibition of nitrification by both AOB and AOA

Observation of non-contact Casimir friction

Quantum mechanics predicts the occurrence of random electromagnetic field fluctuations, or virtual photons, in vacuum. The exchange of virtual photons between two bodies in relative motion could lead to non-contact quantum vacuum friction or Casimir friction. Despite its theoretical significance, the non-contact Casimir frictional force has not been observed and its theoretical predictions have varied widely. In this work, we report the first measurement of the non-contact Casimir frictional force between two moving bodies. By employing two mechanical oscillators with resonant frequencies far lower than those in Lorentz models of electrons in dielectric materials, we have amplified the Casimir frictional force at low relative velocities by several orders of magnitude. We directly measure the non-contact Casimir frictional force between the two oscillators and show its linear dependence on velocity, proving the dissipative nature of Casimir friction. This advancement marks a pivotal contribution to the field of dissipative quantum electrodynamics and enhances our understanding of friction at the nanoscale