/******************************************************************************* * * Instrument: ESS_BEER_MCPL * * %Identification * Written by: Jan Saroun, saroun@ujf.cas.cz * Date: June 2017 * Origin: NPI Rez * %INSTRUMENT_SITE: ESS * Version: 1.1, 27/11/2018 * ToF Diffractometer BEER@ESS with MCPL input at the sample slit. * * %Description * * Secondary part of the ToF diffractometer BEER@ESS. It takes MCPL file at the input as the source * of primary beam in front of the sample. * Results: * 1) xy, divergence, lambda and ToF_lambda plots of the primary beam (monitors the MCPL content) * 2) projections of the sampling volume defined by the primary slit and secondary radial collimator * 3) Intensity vs. dhkl plot, using NPI_tof_dhkl_detector.comp * 4) 2D plot (ToF,2theta), using NPI_tof_theta_monitor * * Modulation mode: * If modul=1, a modulation mode of BEER is assumed: the primary beam is modulated by a chopper placed close to the source. * (set the lc distance appropriately). The NPI_tof_dhkl_detector.comp then performs data reduction in event mode, using * the given modulation parameters: lam0, mod_frq, mod_twidth and a table with primary dhkl estimates (dhkl.dat should be * in the current directory). As a result, the diffractogram with recombined peaks is produced, together with a 2D map * of estimated valid, empty and overlap regions on the ToF-2theta diagram. * * If module=0, modulation parameters are ignored and the NPI_tof_dhkl_detector.comp performs a standard event based * data reduction producing a diffractogram on the basis of given nominal values of lam0 and distances. * * (See NPI_tof_dhkl_detector.comp for more details) * * NOTE: some instrument parameters are hard coded and have to be edited in the INITIALIZE and RUN sections. * * To use, please copy the relevant mcpl files from your $MCSTAS/data folder to the curring working folder * * Example 1: * Simulation in medium resolution mode with pulse shaping choppers, wavelength range centred at 2 AA - use: * ESS_BEER_MCPL input=BEER_MR.mcpl repetition=50 pwdfile=duplex.laz lc=6.65 lam0=2 dlam=1.8 omega=45 chi=90 colw=1 modul=0 mod_frq=2240 mod_twidth=0.0029 mod_shift=0 only_event=-1 pinc=0.1 ptra=0 strain=0 ustrain=0 * Detector: psdtof_I=276.842 * * Example 2: * Simulation in the modulation mode, using the modulation chopper MCB with 8 slits (4 deg wide) rotating at 280 Hz. Wavelength range centred at 2 AA - use: * ESS_BEER_MCPL input=BEER_MCB.mcpl repetition=50 pwdfile=duplex.laz lc=9.35 lam0=2 dlam=1.8 omega=45 chi=90 colw=1 modul=1 mod_frq=2240 mod_twidth=0.0029 mod_shift=0 only_event=-1 pinc=0.1 ptra=0 strain=0 ustrain=0 * Detector: psdtof_I=98.3885 * * %Example: input=BEER_MR.mcpl repetition=50 lc=6.65 modul=0 mod_twidth=0.0029 Detector: psdtof_I=138.421 * Example: input=BEER_MCB.mcpl repetition=50 lc=9.35 modul=1 mod_twidth=0.0029 Detector: psdtof_I=49.1942 * * %Parameters * * input: [str] Input MCPL file * repetition: [1] Number of loops through the MCPL file * pwdfile: [str] Input sample file for PowderN.comp * lc: [m] distance of the pulse definition chopper * lam0: [AA] nominal wavelength (centre of the frame, determines the chopper phase) * dlam: [AA] wavelength band width (only for filtering MCPL input and plot ranges) * omega: [deg] sample orientation (y-axis) * chi: [deg] sample orientation (z-axis) * colw: [mm] collimator width (0.5, 1, 2, 3 or 4) * modul: [0|1] modulation mode switch * mod_frq: [Hz] modulation frequency (chopper frequency x number of slits) * mod_twidth: [s] modulation frame width (should be ~> ESS pulse width) * mod_shift: [] assumed line shift introduced to NPI_tof_dhkl_detector (modulation mode only) * only_event: [1] if > -1, filters out events with line_info.itype<>only_event after PowderN sample * ptra: [ ] p_transmit value passed to PowderN.comp * pinc: [ ] pinc value passed to PowderN.comp * strain: [ppm] Macro-strain (peak shift) * ustrain: [ppm] Micro-strain (peak broadening) * * %End *******************************************************************************/ DEFINE INSTRUMENT ESS_BEER_MCPL(string input="BEER_MR.mcpl", int repetition=50, string pwdfile="duplex.laz", lc=6.65, lam0=2.0, dlam=1.8, omega=45, chi=90, colw=1, modul=0, mod_frq=2240, mod_twidth=0.0029, mod_shift=0, only_event=-1, pinc=0.1, ptra=0.0, strain=0, ustrain=0) DEPENDENCY "-DMCPLPATH=GETPATH(data)" DECLARE %{ char optSGV1[256]; char optSGV2[256]; double col_ang,col_angv,col_h1,col_h2,col_rad,col_len,col_d; int col_ns; double mask_w,mask_dist,mask_h; double det_th1,det_Linst,det_th2,det_t0,det_d1,det_d2,det_Lc,det_rad; double det_mod_dt, det_mod_twidth; int det_modulation; char dhklTable[256]; double Lmin, Lmax, Emin, Emax; // perform r = m*v void MXV(Rotation m, double v[3], double r[3]) { int i,j,k; for (i=0;i<3;i++) { r[i]=0; for (j=0;j<3;j++) { r[i] += m[i][j]*v[j]; } } }; Rotation smi; int filt; double tof; #pragma acc declare create(smi,filt,tof) %} USERVARS %{ double scX; double scY; double scZ; double scP; %} INITIALIZE %{ double hm = 2*PI*K2V; // h/m_n printf("Using the input file: %s\n", input); printf("Using the sample file: %s\n", pwdfile); /* ---------------------------- Set instrument parameters ---------------------------- */ double Linst=158; // source - sample distance /* Collimator (ENGIN-X system) --------------------------------*/ const double cold[5]={0.100, 0.160, 0.310, 0.410, 0.490}; col_ang=30; // horizontal angle col_angv=30; // vertical angle col_d=0.0001; col_ns=160; col_len=0.35; // select distance according to width, allowed values 0.5, 1, 2, 3, 4 if (colw==0.5) { col_rad=cold[0]; } else if (colw==1) { col_rad=cold[1]; } else if (colw==2) { col_rad=cold[2]; } else if (colw==3) { col_rad=cold[3]; } else if (colw==4) { col_rad=cold[4]; } else { printf("WARNING: invalid collmator width (%g), selecting 2 mm.\n", colw); col_rad=cold[2]; } // calculate height (add max. sample height 2 cm) col_h1=0.02+2*col_rad*tan(col_angv*DEG2RAD/2); col_h2=0.02+2*(col_rad+col_len)*tan(col_angv*DEG2RAD/2); printf("INFO: Collimator radius=%g, height=%g -> %g\n",col_rad,col_h1,col_h2); // mask before collimator mask_w=2*col_rad*fabs(tan(col_ang*0.5*DEG2RAD)); mask_h=col_h1; mask_dist=col_rad*cos(col_ang*0.5*DEG2RAD)-0.01; /* Detector parameters --------------------------------*/ // angular range det_th1=75; det_th2=105; // detection radius det_rad=2; // distance from the source to the detector det_Linst=Linst+det_rad; // distance moderator - pulse chopper det_Lc=lc; // chopper delay det_t0=lc/(hm/lam0); // dhkl range det_d1=0.8; det_d2=2.4; /* Modulation parameters --------------------------------*/ det_modulation=modul; det_mod_dt=1/mod_frq; det_mod_twidth=mod_twidth; /* Sample settings --------------------------------*/ // d0 table for modulation mode sprintf(dhklTable,"dhkl.tab"); // set sample orientation Rotation sm; rot_set_rotation(sm, 0.0,omega*DEG2RAD,chi*DEG2RAD); rot_transpose(sm, smi); tof=det_Linst/hm*lam0*1e6; // tof in [us] filt=only_event; #pragma acc update device(smi,tof,filt) /* 2D plot of the sampling gauge volume, in mm*/ sprintf(optSGV2,"user1 bins=201 limits=[-5,5], user2 bins=201 limits=[-5,5]"); /* 2D plot of the sampling gauge volume, in mm*/ sprintf(optSGV1,"user1 bins=201 limits=[-5,5]"); /* Calculate MCPL_input parameters -----------------------------------*/ double L2E; Lmin = lam0 - 0.5*dlam; Lmax = lam0 + 0.5*dlam; L2E = pow(2*PI*K2V,2)*VS2E; Emin = L2E/pow(Lmax,2); Emax = L2E/pow(Lmin,2); /* Messages --------------------------------*/ printf("Chopper delay = %g, mod_period = %g [ms]\n", det_t0*1000, det_mod_dt*1000); printf("Mean ToF [ms] = %g\n", tof/1000); printf("Selected energy range: %g to %g meV\n", Emin, Emax); %} TRACE COMPONENT Origin = Progress_bar() AT (0, 0, 0) ABSOLUTE /* Read neutrons from an mcpl file. */ COMPONENT src = MCPL_input(filename=input, polarisationuse=0, verbose=0, Emin=Emin, Emax=Emax, repeat_count=repetition, v_smear=0, pos_smear=0.0001, dir_smear=0.001) AT( 0,0,0) RELATIVE PREVIOUS COMPONENT xymon = PSD_monitor( nx=100, ny=100, filename="xymon.dat", xwidth=0.01, yheight=0.01, restore_neutron=1) AT (0, 0, 0.001) RELATIVE src COMPONENT lmon = L_monitor( nL=60, filename="lmon.dat", xwidth=0.05, yheight=0.05, Lmin=Lmin, Lmax=Lmax, restore_neutron=1) AT (0, 0, 0.002) RELATIVE src COMPONENT hdiv_mon = Div1D_monitor( ndiv = 100, filename = "hdiv.dat", xwidth = 0.05, yheight = 0.05, maxdiv = 0.5, restore_neutron = 1) AT (0, 0, 0.003) RELATIVE src COMPONENT toflam = TOFLambda_monitor( nL = 400, nt = 400, tmin = 70e3, tmax = 90e3, filename = "toflam.dat", xwidth = 0.05, yheight = 0.05, Lmin = 1.9, Lmax = 2.1, restore_neutron = 1) AT (0, 0, 0.003) RELATIVE src /* Place the sample axis to the correct distance after the MCPL_input. Depends on the configuration of the primary beam simulation. Here we assume 40 mm.*/ COMPONENT Sample_axis = Arm() AT (0, 0, 0.04) RELATIVE src ROTATED (0, 0, 0) RELATIVE src /* Detector arm - defines scattering angle at the detector centre. */ COMPONENT Detector_arm = Arm() AT (0, 0, 0) RELATIVE Sample_axis ROTATED (0, 90, 0) RELATIVE Sample_axis COMPONENT sample = PowderN( reflections=pwdfile, yheight=0.05, radius=0.0035, d_omega=col_ang, d_phi=col_angv, tth_sign=1, // sigma_abs=2.56, // sigma_inc=0.4, // density=7.87, p_transmit=ptra, p_inc=pinc, Strain=strain*1e-6, delta_d_d=ustrain*1e-6, focus_flip=0, target_index=1) AT (0, 0, 0) RELATIVE Sample_axis ROTATED (0, omega, chi) RELATIVE Sample_axis EXTEND %{ /*if ((filt>-1) && (itype!=filt)) { ABSORB; }*/ // gauge coord. in mm double r0[3] = {x,y,z}; double r[3]; MXV(smi, r0, r); scX = r[0]*1000; scY = r[1]*1000; scZ = r[2]*1000; scP = p; %} /* Sample focuses at this component. */ COMPONENT col_mask = Slit( xwidth = mask_w, yheight = mask_h) AT (0, 0, mask_dist) RELATIVE Detector_arm COMPONENT rad2 = Exact_radial_coll( theta_min=-col_ang*0.5, theta_max=col_ang*0.5, nslit=col_ns, radius=col_rad, length=col_len, h_in=col_h1, h_out=col_h2, d=col_d, verbose=1) AT (0, 0, 0) RELATIVE Detector_arm /* Gauge volume, XZ plot */ COMPONENT MonNDXZ = Monitor_nD(xwidth=2, yheight=2, user1="scX", username1="X, mm", user2="scZ", username2="Z, mm", options=optSGV2, filename="SGV_xz.dat", restore_neutron=1) AT (0, 0, col_rad+col_len+0.01) RELATIVE Detector_arm /* Gauge volume, X plot */ COMPONENT MonNDX = Monitor_nD(xwidth=2, yheight=2, user1="scX", username1="X, mm", options=optSGV1, filename="SGV_x.dat", restore_neutron=1) AT (0, 0, col_rad+col_len+0.01) RELATIVE Detector_arm /* Gauge volume, Y plot */ COMPONENT MonNDY = Monitor_nD(xwidth=2, yheight=2, user1="scY", username1="Y, mm", options=optSGV1, filename="SGV_y.dat", restore_neutron=1) AT (0, 0, col_rad+col_len+0.01) RELATIVE Detector_arm /* Gauge volume, Z plot */ COMPONENT MonNDZ = Monitor_nD(xwidth=2, yheight=2, user1="scZ", username1="Z, mm", options=optSGV1, filename="SGV_z.dat", restore_neutron=1) AT (0, 0, col_rad+col_len+0.01) RELATIVE Detector_arm /* Detector with event mode data reduction. Generates 1D diffractogram and a 2D overlap map (in modulation mode). Should be centered at the sample axis and aligned with the primary beam. */ COMPONENT dhklmon = NPI_tof_dhkl_detector( nd=3000, filename="dhkl.dat", yheight=1.0, zdepth=0.01, radius=2, amin=det_th1, amax=det_th2, d_min=det_d1, d_max=det_d2, time0=det_t0, Linst=det_Linst, Lc = det_Lc, res_x=0.002, res_y=0.005, res_t=1e-6, mu=1.0, modulation=det_modulation, mod_dt=det_mod_dt, mod_twidth=det_mod_twidth , mod_shift=mod_shift, mod_d0_table=dhklTable, restore_neutron=1) AT (0, 0, 0) RELATIVE Sample_axis /* ToF vs. 2theta map */ COMPONENT psdtof = NPI_tof_theta_monitor( nt = 800, na = 600, filename = "tof_theta.dat", radius = 2, yheight = 1, tmin = tof-40e3, tmax = tof+40e3, amin = det_th1, amax = det_th2, restore_neutron = 1,verbose=0) AT (0, 0, 0) RELATIVE Sample_axis /* ToF vs. 2theta map, detail */ COMPONENT psdtofDetail= NPI_tof_theta_monitor( nt = 400, na = 400, filename = "tof_theta_detail.dat", radius = 2, yheight = 1, tmin = 100e3, tmax = 110e3, amin = 75, amax = 80, restore_neutron = 1,verbose=0) AT (0, 0, 0) RELATIVE Sample_axis END