Chad M. Parish

Bio: Chad M. Parish is an academic researcher from Oak Ridge National Laboratory. The author has contributed to research in topics: Grain boundary & Scanning transmission electron microscopy. The author has an hindex of 34, co-authored 151 publications receiving 3810 citations. Previous affiliations of Chad M. Parish include North Carolina State University & Sandia National Laboratories.

Deviation from high-entropy configurations in the atomic distributions of a multi-principal-element alloy

Abstract: The alloy-design strategy of combining multiple elements in near-equimolar ratios has shown great potential for producing exceptional engineering materials, often known as 'high-entropy alloys'. Understanding the elemental distribution, and, thus, the evolution of the configurational entropy during solidification, is undertaken in the present study using the Al₁.₃CoCrCuFeNi model alloy. Here we show that, even when the material undergoes elemental segregation, precipitation, chemical ordering and spinodal decomposition, a significant amount of disorder remains, due to the distributions of multiple elements in the major phases. The results suggest that the high-entropy alloy-design strategy may be applied to a wide range of complex materials, and should not be limited to the goal of creating single-phase solid solutions.

Graphene Nucleation Density on Copper: Fundamental Role of Background Pressure

Abstract: In this paper we discuss the effect of background pressure and synthesis temperature on the graphene crystal sizes in chemical vapor deposition (CVD) on copper catalyst. For the first time, we quantitatively demonstrate a fundamental role of the background pressure and provide the activation energy for graphene nucleation in atmospheric pressure CVD (9 eV), which is substantially higher than for the low pressure CVD (4 eV). We attribute the difference to a greater importance of copper sublimation in the low pressure CVD, where severe copper evaporation likely dictates the desorption rate of active carbon from the surface. At atmospheric pressure, where copper evaporation is suppressed, the activation energy is assigned to the desorption energy of carbon clusters instead. The highest possible temperature, close to the melting point of copper, should be used for large single crystal graphene synthesis. Using these conditions, we have synthesized graphene single crystals with sizes over 0.5 mm. Single crysta...

Tensile ductility of an AlCoCrFeNi multi-phase high-entropy alloy through hot isostatic pressing (HIP) and homogenization

Abstract: The microstructure and phase composition of an AlCoCrFeNi high-entropy alloy (HEA) were studied in as-cast (AlCoCrFeNi-AC, AC represents as-cast) and homogenized (AlCoCrFeNi-HP, HP signifies hot isostatic pressed and homogenized) conditions. The AlCoCrFeNi-AC ally has a dendritric structure in the consisting primarily of a nano-lamellar mixture of A2 (disordered body-centered-cubic (BCC)) and B2 (ordered BCC) phases, formed by an eutectic reaction. The homogenization heat treatment, consisting of hot isostatic pressed for 1 h at 1100 °C, 207 MPa and annealing at 1150 °C for 50 h, resulted in an increase in the volume fraction of the A1 phase and formation of a Sigma (σ) phase. Tensile properties in as-cast and homogenized conditions are reported at 700 °C. The ultimate tensile strength was virtually unaffected by heat treatment, and was 396±4 MPa at 700 °C. However, homogenization produced a noticeable increase in ductility. The AlCoCrFeNi-AC alloy showed a tensile elongation of only 1.0%, while after the heat-treatment, the elongation of AlCoCrFeNi-HP was 11.7%. Thermodynamic modeling of non-equilibrium and equilibrium phase diagrams for the AlCoCrFeNi HEA gave good agreement with the experimental observations of the phase contents in the AlCoCrFeNi-AC and AlCoCrFeNi-HP. The reasons for the improvement of ductility after the heat treatment and the crack initiation subjected to tensile loading were discussed.

Fast parallel algorithms for short-range molecular dynamics

Abstract: Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Water desalination using nanoporous single-layer graphene

Abstract: An oxygen plasma etching process can be used to create a nanoporous graphene layer that can efficiently desalinate water.

Entropy-stabilized oxides

Abstract: Configurational disorder can be compositionally engineered into mixed oxide by populating a single sublattice with many distinct cations. The formulations promote novel and entropy-stabilized forms of crystalline matter where metal cations are incorporated in new ways. Here, through rigorous experiments, a simple thermodynamic model, and a five-component oxide formulation, we demonstrate beyond reasonable doubt that entropy predominates the thermodynamic landscape, and drives a reversible solid-state transformation between a multiphase and single-phase state. In the latter, cation distributions are proven to be random and homogeneous. The findings validate the hypothesis that deliberate configurational disorder provides an orthogonal strategy to imagine and discover new phases of crystalline matter and untapped opportunities for property engineering.