9 research outputs found
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Soil carbon sequestration and changes in fungal and bacterial biomass following incorporation of forest residues.
Sequestering carbon (C) in forest soils can benefit site fertility and help offset greenhouse gas emissions. However, identifying soil conditions and forest management practices which best promote C accumulation remains a challenging task. We tested whether soil incorporation of masticated woody residues alters short-term C storage at forested sites in western and southeastern USA. Our hypothesis was that woody residues would preferentially stimulate soil fungal biomass, resulting in improved C use efficiency and greater soil C storage. Harvest slash at loblolly pine sites in South Carolina was masticated (chipped) and either (1) retained on the soil surface, (2) tilled to a soil depth of 40 cm, or (3) tilled using at least twice the mass of organics. At comparative sites in California, live woody fuels in ponderosa pine stands were (1) masticated and surface applied, (2) masticated and tilled, or (3) left untreated. Sites with clayey and sandy soils were compared in each region, with residue additions ranging from 20 to 207 Mg ha_1. Total and active fungal biomass were not strongly affected by residue incorporation despite the high input of organics. Limited response was also found for total and active bacterial biomass. As a consequence, fungal:bacterial (F:B) biomass ratios were similar among treatments at each site. Total soil C was elevated at one California site following residue incorporation, yet was significantly lower compared to surface-applied residues at both loblolly pine sites, presumably due to the oxidative effects of tilling on soil organic matter. The findings demonstrated an inconsequential effect of residue incorporation on fungal and bacterial biomass and suggest a limited potential of such practices to enhance long-term soil C storage in these forests
Soil carbon sequestration and changes in fungal and bacterial biomass following incorporation of forest residues
The ONETEP linear-scaling density functional theory program
We present an overview of the onetep program for linear-scaling density functional theory (DFT) calculations with large basis set (plane-wave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the density matrix and the NGWFs are optimized with localization constraints. By taking advantage of localization, onetep is able to perform calculations including thousands of atoms with computational effort, which scales linearly with the number or atoms. The code has a large and diverse range of capabilities, explored in this paper, including different boundary conditions, various exchange-correlation functionals (with and without exact exchange), finite electronic temperature methods for metallic systems, methods for strongly correlated systems, molecular dynamics, vibrational calculations, time-dependent DFT, electronic transport, core loss spectroscopy, implicit solvation, quantum mechanical (QM)/molecular mechanical and QM-in-QM embedding, density of states calculations, distributed multipole analysis, and methods for partitioning charges and interactions between fragments. Calculations with onetep provide unique insights into large and complex systems that require an accurate atomic-level description, ranging from biomolecular to chemical, to materials, and to physical problems, as we show with a small selection of illustrative examples. onetep has always aimed to be at the cutting edge of method and software developments, and it serves as a platform for developing new methods of electronic structure simulation. We therefore conclude by describing some of the challenges and directions for its future developments and applications
Recommended from our members
The ONETEP linear-scaling density functional theory program.
We present an overview of the onetep program for linear-scaling density functional theory (DFT) calculations with large basis set (plane-wave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the density matrix and the NGWFs are optimized with localization constraints. By taking advantage of localization, onetep is able to perform calculations including thousands of atoms with computational effort, which scales linearly with the number or atoms. The code has a large and diverse range of capabilities, explored in this paper, including different boundary conditions, various exchange-correlation functionals (with and without exact exchange), finite electronic temperature methods for metallic systems, methods for strongly correlated systems, molecular dynamics, vibrational calculations, time-dependent DFT, electronic transport, core loss spectroscopy, implicit solvation, quantum mechanical (QM)/molecular mechanical and QM-in-QM embedding, density of states calculations, distributed multipole analysis, and methods for partitioning charges and interactions between fragments. Calculations with onetep provide unique insights into large and complex systems that require an accurate atomic-level description, ranging from biomolecular to chemical, to materials, and to physical problems, as we show with a small selection of illustrative examples. onetep has always aimed to be at the cutting edge of method and software developments, and it serves as a platform for developing new methods of electronic structure simulation. We therefore conclude by describing some of the challenges and directions for its future developments and applications