{-# LANGUAGE BangPatterns #-} {-| Macroscopic parameters calculation. We use regular spatial grid and time averaging for sampling. Sampling should start after particle system has reached steady state. Samples are then collected in each cell for a certain number of time steps. Sampling is performed in 'MacroSamplingMonad' to ensure consistency of averaging process. During sampling, basic parameters are calculated like number of molecules per cell or mean square of thermal velocity. After sampling these are used to derive final (intensive) parameters like number density or temperature. -} module DSMC.Macroscopic ( MacroSamples , MacroField , BasicMacroParameters , IntensiveMacroParameters -- * Macroscopic sampling monad , MacroSamplingMonad , SamplingState(..) , runMacroSampling , updateSamples , getField ) where import Control.Monad.Trans.Class (lift) import Control.Monad.Trans.Reader import Control.Monad.Trans.State.Strict import qualified Data.Strict.Maybe as S import qualified Data.Array.Repa as R import qualified Data.Vector.Unboxed as VU import Control.Parallel.Stochastic import DSMC.Cells import DSMC.Particles import DSMC.Traceables import DSMC.Util import DSMC.Util.Constants import DSMC.Util.Vector -- | Basic macroscopic parameters calculated in every cell: particle -- count, mean absolute velocity, mean square of thermal velocity. -- -- Particle count is non-integer because of averaging. -- -- These are then post-processed into number density, flow velocity, -- pressure and translational temperature. -- -- Note the lack of root on thermal velocity! type BasicMacroParameters = (Double, Vec3, Double) -- | Intensive macroscopic parameters available after averaging has -- completed. These are: number density, absolute velocity, pressure -- and translational temperature. type IntensiveMacroParameters = (Double, Vec3, Double, Double) -- | Vector which stores averaged macroscropic parameters in each -- cell. -- -- If samples are collected for M iterations, then this vector is -- built as a sum of vectors @V1, .. VM@, where @Vi@ is vector of -- parameters sampled on @i@-th time step divided by @M@. type MacroSamples = R.Array R.U R.DIM1 BasicMacroParameters -- | Array of central points of grid cells with averaged macroscopic -- parameters attached to every point. type MacroField = R.Array R.U R.DIM1 (Point, IntensiveMacroParameters) -- | Monad which keeps track of sampling process data and stores -- options of macroscopic sampling. -- -- GridMonad is used to ensure that only safe values for cell count -- and classifier are used in 'updateSamples' and 'averageSamples' -- (that may otherwise cause unbounded access errors). Note that -- steady condition is not handled by this monad (instead, caller code -- should decide when to start averaging). -- -- Inner Reader Monad stores averaging steps setting. type MacroSamplingMonad = StateT SamplingState (ReaderT Int GridMonad) -- | State of sampling process. data SamplingState = None -- ^ Sampling has not started yet. | Incomplete Int MacroSamples -- ^ Sampling is in progress, not enough samples -- yet. Integer field indicates how many steps are -- left. | Complete MacroSamples -- ^ Averaging is complete, use 'getField' to -- unload the samples. makeIntensive :: Double -- ^ Mass of molecule. -> Double -- ^ Statistical weight of a simulator particle. -> Double -- ^ Cell volume. -> BasicMacroParameters -> IntensiveMacroParameters makeIntensive !m !w !vol !(n, vel, c) = if n == 0 then (0, (0, 0, 0), 0, 0) else (numDens, vel, c * dens / 3, m * c / (3 * boltzmann)) where numDens = n / vol * w dens = numDens * m -- | Fetch macroscopic field of intensive parameters if averaging is -- complete. getField :: Double -- ^ Mass of molecule. -> Double -- ^ Statistical weight of single molecule. -> MacroSamplingMonad (Maybe MacroField) getField m w = do (cellCount, _) <- lift $ lift $ asks classifier ixer <- lift $ lift $ asks indexer vols <- lift $ lift $ asks volumes res <- get case res of Complete samples -> do let centralPoints = R.fromFunction (R.ix1 $ cellCount) (\(R.Z R.:. cellNumber) -> ixer cellNumber) realSamples = R.zipWith (makeIntensive m w) (fromUnboxed1 vols) samples f <- R.computeP $ R.zipWith (,) centralPoints realSamples return $ Just f _ -> return $ Nothing -- | Parameters in empty cell. emptySample :: BasicMacroParameters emptySample = (0, (0, 0, 0), 0) -- | Run 'MacroSamplingMonad' action with given sampling options and -- return final 'Complete' state with macroscopic samples. runMacroSampling :: MacroSamplingMonad r -> ParallelSeeds -> Grid -- ^ Grid used to sample macroscopic parameters. -> Body -> Int -- ^ Use that many points to approximate every cell volume. -> Int -- ^ Averaging steps count. -> DSMCRootMonad (r, SamplingState) runMacroSampling f seeds grid body testPoints ssteps = runGrid (runReaderT (runStateT f None) ssteps) seeds grid body testPoints -- | Create empty 'MacroSamples' array. initializeSamples :: Int -- ^ Cell count. -> MacroSamples initializeSamples cellCount = fromUnboxed1 $ VU.replicate cellCount emptySample -- | Gather samples from ensemble. Return True if sampling is -- finished, False otherwise. updateSamples :: Ensemble -> MacroSamplingMonad Bool updateSamples ens = let addCellParameters :: BasicMacroParameters -> BasicMacroParameters -> BasicMacroParameters addCellParameters !(n1, v1, c1) !(n2, v2, c2) = (n1 + n2, v1 <+> v2, c1 + c2) in do sorting@(cellCount, _) <- lift $ lift $ asks classifier maxSteps <- lift $ ask sampling <- get -- n is steps left for averaging let (n, oldSamples) = case sampling of None -> (maxSteps, initializeSamples cellCount) Incomplete s o -> (s, o) Complete _ -> error "updateSamples called, but pool's closed." weight = 1 / fromIntegral maxSteps -- Sort particles into macroscopic cells for sampling sorted = classifyParticles sorting ens -- Sampling results from current step stepSamples = cellMap (\_ c -> sampleMacroscopic c weight) sorted -- Add samples from current step to all sum of samples collected so -- far !newSamples <- R.computeP $ R.zipWith addCellParameters oldSamples stepSamples let fin = (n == 0) -- Update state of sampling process put $ case fin of True -> Complete newSamples False -> Incomplete (n - 1) newSamples return fin -- | Sample macroscopic values in a cell. sampleMacroscopic :: S.Maybe CellContents -> Double -- ^ Multiply all sampled parameters by this number, -- which is the statistical weight of one sample. -- Typically this is inverse to the amount of steps -- used for averaging. -> BasicMacroParameters sampleMacroscopic !c !weight = case c of S.Nothing -> emptySample S.Just ens -> let -- Particle count n = fromIntegral $ VU.length ens -- Particle averaging factor s = 1 / n -- Mean absolute velocity m1 = (VU.foldl' (\v0 (_, v) -> v0 <+> v) (0, 0, 0) ens) .^ s -- Mean square thermal velocity c2 = (VU.foldl' (+) 0 $ VU.map (\(_, v) -> let thrm = (v <-> m1) in (thrm .* thrm)) ens) * s in (n * weight, m1 .^ weight, c2 * weight)